chempirical

1-Benzylpiperidine

C12H17NCAS 2905-56-8175.28 g/mol

Open in Covalent MOL file
N
Tertiary amine

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

Identifiers

CAS number
2905-56-8
SMILES
c1ccc(CN2CCCCC2)cc1
InChIKey
NZVZVGPYTICZBZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H17N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-11H2

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Names and synonyms

4 names
  • Piperidine, 1-(phenylmethyl)-
  • Piperidine, 1-benzyl-
  • 1-(Phenylmethyl)piperidine
  • N-Benzylpiperidine

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 Tribenzylamine620-40-667 % similar 2,2′-[(Phenylmethyl)imino]bis[ethanol]101-32-662 % similar 1-Benzylpiperazine2759-28-662 % similar Hexahydro-1,3,5-tris(phenylmethyl)-1,3,5-triazine2547-66-261 % similar 1-Benzyl-hexahydro-4H-azepin-4-one1208-75-958 % similar N-Benzylbis(2-chloroethyl)amine hydrochloride10429-82-055 % similar 4-Benzylpiperazine hydrochloride110475-31-555 % 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 4-Benzylpiperidine31252-42-3 2-Benzylpiperidine32838-55-4 4-Cyclohexylbenzenamine6373-50-8

Elsewhere

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