4-Phenylpiperidine
Properties
- Molecular formula
- C11H15N
- Molar mass
- 161.25 g/mol
- Exact mass
- 161.1204 Da
- Melting point
- 60.5 °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
- H315 Causes skin irritation98% of notifiers
- H319 Causes serious eye irritation98% of notifiers
- H335 May cause respiratory irritation96% of notifiers
Aggregated from 50 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
771-99-3SMILES
c1ccc(C2CCNCC2)cc1InChIKey
UTBULQCHEUWJNV-UHFFFAOYSA-NInChI
InChI=1S/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Piperidine, 4-phenyl-
- NSC 89743
Work with 4-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
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.
Similar compounds
3-Phenylpyrrolidine936-44-775 % similar
(R)-3-Phenyl-pyrrolidine hydrochloride851000-46-967 % similar
3-Phenyl-pyrrolidine hydrochloride857281-02-867 % similar
Phenylcyclopropane873-49-467 % similar
1,2,3,4,5,6-Hexahydro-[4,4′]bipyridinyl581-45-362 % similar
4-(4-Fluorophenyl)piperidine37656-48-759 % similar
4-(4-Bromophenyl)piperidine80980-89-859 % similar
Cyclohexylbenzene827-52-158 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.