4-Phenylpiperidine hydrochloride

C₁₁H₁₆ClNCAS 10272-49-8197.71 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₁H₁₆ClN
Molar mass: 197.71 g/mol
Exact mass: 197.0971 Da
Melting point: 164–165 °C
logP: 2.58Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

10272-49-8

SMILES

Cl.c1ccc(C2CCNCC2)cc1

InChIKey

UPZJLQCUYUTZIE-UHFFFAOYSA-N

InChI

InChI=1S/C11H15N.ClH/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h1-5,11-12H,6-9H2;1H

Weigh it out

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

Names and synonyms

4 names

Piperidine, 4-phenyl-, hydrochloride (1:1)
Piperidine, 4-phenyl-, hydrochloride
1,2,3,6-Tetrahydro-4-phenylpiperidine hydrochloride
4-Phenylpiperidinium chloride

Work with 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Phenylpiperidine771-99-3Free base

Similar compounds

(R)-3-Phenyl-pyrrolidine hydrochloride851000-46-978 % similar 3-Phenyl-pyrrolidine hydrochloride857281-02-878 % similar 3-Phenylpyrrolidine936-44-767 % similar Phenylcyclopropane873-49-458 % similar 4-(3-Trifluoromethylphenyl)piperidine hydrochloride6652-16-056 % similar 1,2,3,4,5,6-Hexahydro-[4,4′]bipyridinyl581-45-355 % similar 4-(4-Fluorophenyl)piperidine37656-48-753 % similar 4-(4-Bromophenyl)piperidine80980-89-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(2-Chloroethyl)-N-ethyl-3-methylbenzenamine22564-43-8

Elsewhere

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