4-Cyano-4-phenylpiperidine hydrochloride

C₁₂H₁₅ClN₂CAS 51304-58-6222.72 g/mol

Open in Covalent MOL file

Nitrile Secondary amine

Properties

Molecular formula: C₁₂H₁₅ClN₂
Molar mass: 222.72 g/mol
Exact mass: 222.0924 Da
logP: 2.25Crippen estimate
Polar surface area: 35.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

51304-58-6

SMILES

Cl.N#CC1(c2ccccc2)CCNCC1

InChIKey

CQPHZBOPSZGTJM-UHFFFAOYSA-N

InChI

InChI=1S/C12H14N2.ClH/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11;/h1-5,14H,6-9H2;1H

Weigh it out

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

Names and synonyms

3 names

4-Piperidinecarbonitrile, 4-phenyl-, hydrochloride (1:1)
4-Piperidinecarbonitrile, 4-phenyl-, monohydrochloride
4-Phenyl-4-piperidinecarbonitrile hydrochloride

Work with 4-Cyano-4-phenylpiperidine hydrochloride

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-Phenylcyclopropanecarbonitrile935-44-466 % similar 1-Phenylcyclopentanecarbonitrile77-57-661 % similar 1-Benzyl-4-cyano-4-phenylpiperidine hydrochloride71258-18-956 % similar 4-Oxo-1-phenylcyclohexanecarbonitrile25115-74-651 % similar 4-Acetyl-4-phenylpiperidine hydrochloride10315-03-446 % similar 4-Hydroxy-4-phenylpiperidine40807-61-246 % similar 1-(4-Bromophenyl)cyclopropanecarbonitrile124276-67-144 % similar α,α-Diphenyl-4-piperidinemethanol hydrochloride1798-50-143 % similar

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

Same formula

Detomidine hydrochloride90038-01-0

Elsewhere

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