1-Benzylpiperidine
Properties
- Molecular formula
- C12H17N
- Molar mass
- 175.28 g/mol
- Exact mass
- 175.1361 Da
- Melting point
- 178–179 °C
- Boiling point
- 245 °C
- logP
- 2.67Crippen estimate
- Polar surface area
- 3.2 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation80% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
2905-56-8SMILES
c1ccc(CN2CCCCC2)cc1InChIKey
NZVZVGPYTICZBZ-UHFFFAOYSA-NInChI
InChI=1S/C12H17N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-11H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Piperidine, 1-(phenylmethyl)-
- Piperidine, 1-benzyl-
- 1-(Phenylmethyl)piperidine
- N-Benzylpiperidine
Reactions
Work with 1-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
1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-576 % similar
1-Benzyl-1,4-diazepane4410-12-267 % similar
Tribenzylamine620-40-667 % similar
2,2'-((Phenylmethyl)imino)bisethanol101-32-662 % similar
1-Benzylpiperazine2759-17-362 % similar
1-Benzylpiperazine2759-28-662 % similar
Hexahydro-1,3,5-tris(phenylmethyl)-1,3,5-triazine2547-66-261 % similar
4-(Piperidin-1-ylmethyl)aniline29608-05-759 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.