2-Benzylpiperidine
Properties
- Molecular formula
- C12H17N
- Molar mass
- 175.28 g/mol
- Exact mass
- 175.1361 Da
- Density
- 0.974 g/mL (at 20 °C)
- Melting point
- 32 °C
- Boiling point
- 267.5 °C
- logP
- 2.37Crippen estimate
- Polar surface area
- 12.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed97.6% of notifiers
Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
32838-55-4SMILES
c1ccc(CC2CCCCN2)cc1InChIKey
ITXCORRITGNIHP-UHFFFAOYSA-NInChI
InChI=1S/C12H17N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-3,6-7,12-13H,4-5,8-10H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Piperidine, 2-(phenylmethyl)-
- Piperidine, 2-benzyl-
- 2-(Phenylmethyl)piperidine
Work with 2-Benzylpiperidine
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
Similar compounds
(2S)-2-Benzylaziridine73058-30-754 % similar
2-Phenylpiperidine3466-80-652 % similar
(2S)-N-Phenyl-2-pyrrolidinemethanamine64030-44-052 % similar
(R)-(-)-2-(Anilinomethyl)pyrrolidine68295-45-452 % similar
(±)-Desoxypipradrol519-74-448 % similar
2-Diphenylmethylpiperidine hydrochloride5807-81-844 % similar
2-Phenylpyrrolidine1006-64-044 % similar
2-Ethylpiperidine1484-80-643 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.