3-Phenylpiperidine
Properties
- Molecular formula
- C11H15N
- Molar mass
- 161.25 g/mol
- Exact mass
- 161.1204 Da
- Density
- 1 g/mL
- Melting point
- 14.5 °C
- Boiling point
- 257 °C
- logP
- 2.15Crippen estimate
- Polar surface area
- 12.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed80% of notifiers
- H312 Harmful in contact with skin40% of notifiers
- H315 Causes skin irritation40% of notifiers
- H319 Causes serious eye irritation60% of notifiers
- H332 Harmful if inhaled40% of notifiers
- H335 May cause respiratory irritation20% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3973-62-4SMILES
c1ccc(C2CCCNC2)cc1InChIKey
NZYBILDYPCVNMU-UHFFFAOYSA-NInChI
InChI=1S/C11H15N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-3,5-6,11-12H,4,7-9H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
1 names
- Piperidine, 3-phenyl-
Work with 3-Phenylpiperidine
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
3-Phenylpyrrolidine936-44-777 % similar
(R)-3-Phenyl-pyrrolidine hydrochloride851000-46-969 % similar
3-Phenyl-pyrrolidine hydrochloride857281-02-869 % similar
(S)-3-(4-Bromophenyl)piperidine1335523-82-465 % similar
Cyclohexylbenzene827-52-156 % similar
4-Phenylpiperidine hydrochloride10272-49-852 % similar
3-Benzylpiperidine13603-25-352 % similar
Phenylcyclopropane873-49-450 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.