Piperidine
Athanor · official
C5H11N · 85.15 g/mol
Also called hexahydropyridine, azinane
Names and identifiers
- IUPAC name
- piperidine
- Synonyms
- hexahydropyridine, azinane, Hexahydropyridine
+ 35 more
Cyclopentimine, Azacyclohexane, Hexazane, Cypentil, Pentamethyleneimine, Piperidin, Pentamethylenimine, Perhydropyridine, Pyridine, hexahydro-, FEMA No. 2908, DTXSID6021165, 67I85E138Y, DTXCID101165, CHEBI:18049, RefChem:6144, 203-813-0, Pentamethyleneamine, piperdine, Piperidine, homopolymer, MFCD00005979, CHEMBL15487, Piperidin [German], CCRIS 967, HSDB 114, Piperidine, puriss. p.a., >=99.0% (GC/T), EINECS 203-813-0, UN2401, piperadine, pyperidine, N-piperidine, AI3-24114, UNII-67I85E138Y, Piperidine [UN2401] [Corrosive], Piperidine, 99%, PIPERIDINE [MI]
- Molecular formula
- C5H11N
- Empirical formula
- C5H11N
- Molecular weight
- 85.15 g/mol
- Exact mass
- 85.08915
- CAS number
- 110-89-4
- PubChem CID
- 8082
- Canonical SMILES
- C1CCNCC1
- Isomeric SMILES
- C1CCNCC1
- InChI
- InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2
- InChIKey
- NQRYJNQNLNOLGT-UHFFFAOYSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Physical properties
- Appearance
- Piperidine appears as a clear colorless liquid with a pepper-like odor. Less dense than water, but miscible in water. Will float on water. Flash point 37 °F. Melting point -15.8 °F (-9 °C). Boiling point 222.8 °F (106 °C). May severely irritate skin and eyes. May be toxic by ingestion and inhalation. Vapors heavier than air. Used to make rubber and as a solvent.[1]
4 values
From CAMEO Chemicals, the most authoritative source here.
Value As written Source –shown Piperidine appears as a clear colorless liquid with a pepper-like odor. Less dense than water, but miscible in water. Will float on water. Flash point 37 °F. Melting point -15.8 °F (-9 °C). Boiling point 222.8 °F (106 °C). May severely irritate skin and eyes. May be toxic by ingestion and inhalation. Vapors heavier than air. Used to make rubber and as a solvent. [1] CAMEO Chemicals – Liquid [2] EPA Chemical Data Reporting (CDR) – COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR. [3] ILO-WHO International Chemical Safety Cards (ICSCs) – CLEAR, COLORLESS LIQUID [4] Hazardous Substances Data Bank (HSDB)cites Sax, N.I. Dangerous Properties of Industrial Materials. 6th ed. New York, NY: Van Nostrand Reinhold, 1984., p. 2236 - Odor
- Odor of pepper[4]
3 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source – AMINE-LIKE ODOR [4] Hazardous Substances Data Bank (HSDB)cites Sax, N.I. Dangerous Properties of Industrial Materials. 6th ed. New York, NY: Van Nostrand Reinhold, 1984., p. 2236 – HEAVY, SWEET, FLORAL, ANIMAL ODOR [4] Hazardous Substances Data Bank (HSDB)cites Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 487 –shown Odor of pepper [4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 882 - Melting point
- -9 °C[5]
3 values
2 of 3 sources agree on it (most common value).
Value As written Source −9 to −7 °C 16 to 19 °F (EPA, 1998) [1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office. −7 °C -7 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs) −9 °Cshown -9 °C [5] PAC Chemical Database, U.S. Department of Energy - Boiling point
- 106 °C[3]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source 106 °C 223 °F at 760 mmHg (EPA, 1998) [1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office. 106 °Cshown 106 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs) 106 °C 106 °C @760 [mm Hg] [5] PAC Chemical Database, U.S. Department of Energy - Density
- 0.8622 @25 °C[5]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source – 0.8622 at 68 °F (EPA, 1998) - Less dense than water [1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office. – Relative density (water = 1): 0.86 [3] ILO-WHO International Chemical Safety Cards (ICSCs) –shown 0.8622 @25 °C [5] PAC Chemical Database, U.S. Department of Energy - Solubility in water
- Solubility in water: miscible[3]
3 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source – Miscible (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina. – Miscible in water [4] Hazardous Substances Data Bank (HSDB)cites Yalkowsky SH, Dannenfelser RM; The AQUASOL dATAbASE of Aqueous Solubility. Ver 5. Tucson, AZ: Univ AZ, College of Pharmacy (1992) –shown Solubility in water: miscible [3] ILO-WHO International Chemical Safety Cards (ICSCs) - log P
- 0.84[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source – log Kow = 0.84 [4] Hazardous Substances Data Bank (HSDB)cites Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 15 –shown 0.84 [3] ILO-WHO International Chemical Safety Cards (ICSCs) - Vapor pressure
- Vapor pressure, kPa at 29.2 °C: 5.3[3]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source 40 mmHg 40 mmHg at 84.56 °F (EPA, 1998) [1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office. 39.8 mmHgshown Vapor pressure, kPa at 29.2 °C: 5.3 [3] ILO-WHO International Chemical Safety Cards (ICSCs) 40 mmHg 40 [mm Hg] @29.2 °C [5] PAC Chemical Database, U.S. Department of Energy - Flash point
- 16 °C c.c.[3]
3 values
2 of 3 sources agree on it (most common value).
Value As written Source 3.0 to 16.1 °C 37.4 to 61 °F (EPA, 1998) [1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office. 16 °C 61 °F (16 °C) (closed cup) [4] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-99 16 °Cshown 16 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.
Calculated
- Heavy atoms
- 6
- Rings
- 1
- Aromatic rings
- 0
- Fraction sp³ carbons (Fsp3)
- 1
- H-bond donors
- 1
- H-bond acceptors
- 1
- Rotatable bonds
- 0
- TPSA (Ų)
- 12
- Formal charge
- 0
- XLogP3
- 0.8 PubChem
- Complexity
- 30 PubChem
- Stereocenters
- None
- Double-bond geometry
- None specified
- Point group
- Cs of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- C70.53%
- H13.02%
- N16.45%
Isotope pattern
Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.
Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.
Predicted
- log P
- 0.76 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- -0.85 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 2.06 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 85.15
- log P ≤ 5 (Crippen): 0.76
- H-bond donors ≤ 5: 1
- H-bond acceptors ≤ 10: 1
Passes all four rules.
¹³C NMR shifts, predicted
Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.
Safety
Danger
Harmonized EU classification (CLP Annex VI). Source [6].
Flammable
Corrosive
Acute toxicity
- H225Highly Flammable liquid and vapor
- H311Toxic in contact with skin
- H314Causes severe skin burns and eye damage
- H331Toxic if inhaled
Precautionary statements: P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501
View all classifications (2)
- [6] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH225, H311, H314, H331
- [7] European Chemicals Agency (ECHA) · 2,105 reports · DangerH225, H302, H311, H314, H331
First aid
- Warning: Piperidine is a basic irritant of skin and mucous membranes. May cause permanent injury after short exposure to small amounts. Signs and Symptoms of Piperidine Exposure: Signs and symptoms of acute exposure to piperidine may include irritation and burning of skin and mucous membranes. It may cause respiratory tract, liver, gastrointestinal tract, kidney, and CNS damage.[1]
- General First Aid: · Call 911 or emergency medical service. · Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination. · Move victim to fresh air if it can be done safely. · Administer oxygen if breathing is difficult. · If victim is not breathing: -- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance. -- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped…[8]
- Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.[3]
- Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .[3]
Storage
- Fireproof. Separated from strong oxidants, acids and incompatible materials. See Chemical Dangers.[3]
- Fireproof. Separated from strong oxidants, acids, incompatible materials See Chemical Dangers.[4]
- Store in tightly closed containers in a cool, well vented area away form oxidizers. Where possible, automatically pump liquid from drums or other storage containers to process containers. Sources of ignition such as smoking and open flames are prohibited where this chemical is handled, used, or stored. Metal containers involving the transfer of 5 gallons or more of this chemical should be grounded and bonded. Drums must be equipped with self-closing valves, pressure vacuum bungs, and flame arresters.[4]
Incompatibilities
Always read the supplier’s safety data sheet before working with it.
Spectra
- NMRHazardous Substances Data Bank (HSDB) · NMRShiftDB
- 1H NMRHuman Metabolome Database (HMDB) (JEOL · 400 MHz · CDCl3) · SpectraBase (Varian A-60D)
- 13C NMRHuman Metabolome Database (HMDB) (Varian · 25.16 MHz · CDCl3) · SpectraBase
- 15N NMRSpectraBase
- GC-MSHuman Metabolome Database (HMDB) (EI-B · positive) · Human Metabolome Database (HMDB) (EI-B · positive) · Human Metabolome Database (HMDB) (EI-B · positive) · Human Metabolome Database (HMDB) (EI-B · positive) · Human Metabolome Database (HMDB) (EI-B · positive) · Human Metabolome Database (HMDB) (EI-B · positive)
- MS-MSHuman Metabolome Database (HMDB) (Positive) · Human Metabolome Database (HMDB) (Positive) · Human Metabolome Database (HMDB) (Positive) · Human Metabolome Database (HMDB) (Positive) · Human Metabolome Database (HMDB) (Positive) · Human Metabolome Database (HMDB) (Positive)
- LC-MSMassBank Europe (Q Exactive Plus Orbitrap Thermo Scientific · LC-ESI-QFT · POSITIVE) · MassBank Europe (API3000, Applied Biosystems · LC-ESI-QQ · POSITIVE) · MassBank Europe (API3000, Applied Biosystems · LC-ESI-QQ · POSITIVE) · MassBank Europe (API3000, Applied Biosystems · LC-ESI-QQ · POSITIVE) · MassBank Europe (API3000, Applied Biosystems · LC-ESI-QQ · POSITIVE) · MassBank Europe (API3000, Applied Biosystems · LC-ESI-QQ · POSITIVE)
- Other MSHazardous Substances Data Bank (HSDB) · MassBank Europe (MX-1303 · EI-B · POSITIVE) · MassBank Europe (HITACHI RMU-6M · EI-B · POSITIVE) · MassBank Europe (HITACHI M-80B · EI-B · POSITIVE) · MassBank of North America (MoNA) (TQD, Waters · Flow-injection QqQ/MS · ESI) · MassBank of North America (MoNA) (TQD, Waters · Flow-injection QqQ/MS · ESI)
- UVHazardous Substances Data Bank (HSDB)
- IRHazardous Substances Data Bank (HSDB)
- FTIRSpectraBase (Bio-Rad FTS · Neat (KBr))
- ATR-IRSpectraBase (PerkinElmer SpectrumTwo · ATR-IR)
- Near IRSpectraBase (INSTRUMENT PARAMETERS=INST=BRUKER,RSN=23115,REO=2,CNM=HEI,ZFF=2 · NIR Spectrometer= BRUKER IFS 88)
- Vapor Phase IRSpectraBase (Bruker IFS 85 · Gas-GC)
- RamanHazardous Substances Data Bank (HSDB) · SpectraBase
Experimental spectra held by these sources; each link opens the source's own record.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- [1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
- [2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
- [3]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
- [4]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
- [5]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
- [6]Regulation (EC) No 1272/2008 of the European Parliament and of the Council · EU reuse policy, CC BY 4.0 · via PubChem · retrieved 2026-10-14
- [7]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
- [8]Emergency Response Guidebook (ERG) · Public domain (US DOT) · via PubChem · retrieved 2026-10-14
- [9]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
- [10]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
- [11]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
- [12]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
- [13]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
- [14]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.
