3-Benzylpiperidine

C12H17NCAS 13603-25-3175.28 g/mol

Open in Covalent MOL file
HN
Secondary amine

Properties

Molecular formula
C12H17N
Molar mass
175.28 g/mol
Exact mass
175.1361 Da
Melting point
190 °C
logP
2.23Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number
13603-25-3
SMILES
c1ccc(CC2CCCNC2)cc1
InChIKey
BKDMXVREWXKZLB-UHFFFAOYSA-N
InChI
InChI=1S/C12H17N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-3,5-6,12-13H,4,7-10H2

Weigh it out

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

Names and synonyms

3 names
  • Piperidine, 3-(phenylmethyl)-
  • Piperidine, 3-benzyl-
  • 3-(Phenylmethyl)piperidine

Work with 3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(3-Phenylpropyl)piperidine18495-82-453 % similar 3-Phenylpiperidine3973-62-452 % similar (2S)-2-Benzylaziridine73058-30-745 % similar 3-Cbz-aminopiperidine hcl31648-54-144 % similar (3S)-Piperidin-3-ylmethanol144539-77-544 % similar 3-(Aminomethyl)piperidine23099-21-044 % similar 3-Piperidinemethanol4606-65-944 % similar 3-Phenylpyrrolidine936-44-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tricyclo(3.3.1.13,7)decane-1-acetonitrile16269-13-9 N-Cyclohexylbenzenamine1821-36-9 1-Methyl-3-phenylpiperidine19509-11-6 1-Benzylpiperidine2905-56-8 4-Benzylpiperidine31252-42-3 2-Benzylpiperidine32838-55-4 4-Cyclohexylbenzenamine6373-50-8

Elsewhere

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