1-Benzyl-4-cyano-4-phenylpiperidine hydrochloride

C₁₉H₂₁ClN₂CAS 71258-18-9312.84 g/mol

Open in Covalent MOL file

Nitrile Tertiary amine

Properties

Molecular formula: C₁₉H₂₁ClN₂
Molar mass: 312.84 g/mol
Exact mass: 312.1393 Da
Melting point: 259–260 °C
logP: 4.17Crippen estimate
Polar surface area: 27.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H315 Causes skin irritation97.9% of notifiers
H318 Causes serious eye damage95.7% of notifiers
H335 May cause respiratory irritation95.7% of notifiers
H400 Very toxic to aquatic life93.6% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

71258-18-9

SMILES

Cl.N#CC1(c2ccccc2)CCN(Cc2ccccc2)CC1

InChIKey

SPXFNRMZPRHYRH-UHFFFAOYSA-N

InChI

InChI=1S/C19H20N2.ClH/c20-16-19(18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17;/h1-10H,11-15H2;1H

Weigh it out

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

Names and synonyms

4 names

4-Piperidinecarbonitrile, 4-phenyl-1-(phenylmethyl)-, hydrochloride (1:1)
4-Piperidinecarbonitrile, 4-phenyl-1-(phenylmethyl)-, monohydrochloride
1-Benzyl-4-phenylpiperidine-4-carbonitrile hydrochloride
1-N-Benzyl-4-cyano-4-phenylpiperidine hydrochloride

Work with 1-Benzyl-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

4-Hydroxy-1-(phenylmethyl)-4-piperidinecarbonitrile6094-60-657 % similar 4-Cyano-4-phenylpiperidine hydrochloride51304-58-656 % similar 1-Phenylcyclopropanecarbonitrile935-44-456 % similar 1-Phenylcyclopentanecarbonitrile77-57-653 % similar N-Benzylbis(2-chloroethyl)amine hydrochloride10429-82-049 % similar 4-Benzylpiperazine hydrochloride110475-31-549 % similar 1-Benzyl-4,4-difluoropiperidine155137-18-149 % similar Benzylpiperazine dihydrochloride5321-63-149 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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