1-Benzyl-4-chloropiperidine

C₁₂H₁₆ClNCAS 67848-71-9209.72 g/mol

Open in Covalent MOL file

Alkyl halide Tertiary amine

Properties

Molecular formula: C₁₂H₁₆ClN
Molar mass: 209.72 g/mol
Exact mass: 209.0971 Da
logP: 2.89Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

67848-71-9

SMILES

C1CN(CCC1Cl)CC2=CC=CC=C2

InChIKey

HEDDTLVBWCOBRG-UHFFFAOYSA-N

InChI

InChI=1S/C12H16ClN/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2

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Names and synonyms

1 names

N-Benzyl-4-chloro-piperidine

Work with 1-Benzyl-4-chloropiperidine

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

1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-562 % similar 1-Benzyl-4-hydroxypiperidine4727-72-461 % similar 4-Amino-1-benzylpiperidine50541-93-061 % similar 1-Benzyl-4-(phenylamino)piperidine1155-56-258 % similar 1-(Phenylmethyl)-4-piperidinecarboxaldehyde22065-85-658 % similar 1-(Phenylmethyl)-4-piperidinemethanol67686-01-558 % similar N-Methyl-1-(phenylmethyl)-4-piperidinamine7006-50-058 % similar (1-Benzyl-4-piperidinyl)methylamine88915-26-858 % similar

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

Same formula

1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine hydrochloride23007-85-4

Elsewhere

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