chempirical

Piperidine

C5H11NCAS 110-89-485.15 g/mol

Open in Covalent MOL file
NH
Secondary amine

Properties

Molecular formula
C5H11N
Molar mass
85.15 g/mol
Exact mass
85.0891 Da
Density
0.8622 g/mL (at 20 °C)
Melting point
−7 °C
Boiling point
106 °C
pKa
11.12
Flash point
16 °C (closed cup)
Water solubility
miscible
logP
0.76Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Acute Toxic (GHS06)

Harmonised EU classification (CLP Annex VI, index 613-027-00-3), via PubChem.

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

Identifiers

CAS number
110-89-4
SMILES
C1CCNCC1
InChIKey
NQRYJNQNLNOLGT-UHFFFAOYSA-N
InChI
InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

8 names
  • Azacyclohexane
  • Cyclopentimine
  • Cypentil
  • Hexahydropyridine
  • Hexazane
  • Pentamethylenimine
  • Pyridine, hexahydro-
  • Perhydropyridine

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 110-89-4. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with Piperidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Piperidinium chloride6091-44-7Salt Piperidinium acetate4540-33-4Salt

Similar compounds

Azepane111-49-9100 % similar Azocane1121-92-2100 % similar Pyrrolidine123-75-189 % similar Azetidine503-29-770 % similar 1,4,8,12-Tetraazacyclopentadecane15439-16-464 % similar Cyclam295-37-464 % similar 1,4-Diazacycloheptane505-66-864 % similar Dioctylamine1120-48-560 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Cyclopentylamine1003-03-8 1-Methylpyrrolidine120-94-5 N,N-Dimethylallylamine2155-94-4 (2R)-2-Methylpyrrolidine41720-98-3 Cyclobutanemethanamine4415-83-2 (2S)-2-Methylpyrrolidine59335-84-1 2-Methylpyrrolidine765-38-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia