chempirical

4-Benzylpiperidine

C12H17NCAS 31252-42-3175.27 g/mol

Open in Covalent MOL file
NH
Secondary amine

Properties

Molecular formula
C12H17N
Molar mass
175.27 g/mol
Exact mass
175.1361 Da
Density
1 g/mL
Melting point
16.8 °C
Boiling point
270 °C
logP
2.23Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
31252-42-3
SMILES
c1ccc(CC2CCNCC2)cc1
InChIKey
ABGXADJDTPFFSZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H17N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2

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

Names and synonyms

4 names
  • Piperidine, 4-(phenylmethyl)-
  • Piperidine, 4-benzyl-
  • 4-(Phenylmethyl)piperidine
  • NSC 30346

Work with 4-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

4-(3-Phenylpropyl)piperidine18495-82-467 % similar 4-Phenylpiperidine771-99-350 % similar 4-Phenylpiperidine hydrochloride10272-49-845 % similar Benzathine140-28-344 % similar Isobutylbenzene538-93-243 % similar Dibenzylamine103-49-142 % similar 1-Benzylpiperazine2759-28-642 % similar 1-(2-Phenylethyl)piperazine5321-49-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Benzylpiperidine13603-25-3 N-Cyclohexylbenzenamine1821-36-9 1-Methyl-3-phenylpiperidine19509-11-6 1-Benzylpiperidine2905-56-8 2-Benzylpiperidine32838-55-4 4-Cyclohexylbenzenamine6373-50-8

Elsewhere

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