4-(4-Chlorobenzoyl)piperidine hydrochloride

C₁₂H₁₅Cl₂NOCAS 55695-51-7260.16 g/mol

Open in Covalent MOL file

Aryl halide Ketone Secondary amine

Properties

Molecular formula: C₁₂H₁₅Cl₂NO
Molar mass: 260.16 g/mol
Exact mass: 259.0531 Da
logP: 2.94Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

55695-51-7

SMILES

C1CNCCC1C(=O)C2=CC=C(C=C2)Cl.Cl

InChIKey

LZUYKOBTHSPKED-UHFFFAOYSA-N

InChI

InChI=1S/C12H14ClNO.ClH/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10;/h1-4,10,14H,5-8H2;1H

Weigh it out

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

Names and synonyms

1 names

(4-Chlorophenyl)(4-piperidyl)methanone hydrochloride

Work with 4-(4-Chlorobenzoyl)piperidine 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-(4-Chlorobenzoyl)piperidine53220-41-0Free base

Similar compounds

(4-Chlorophenyl)cyclopropylmethanone6640-25-170 % similar 4-(4-Fluorobenzoyl)piperidine hydrochloride25519-78-268 % similar 4-(4-Fluorobenzoyl)piperidine56346-57-761 % similar (2,4-Difluorophenyl)(piperidin-4-yl)methanone hydrochloride106266-04-047 % similar 2-Bromo-1-(4-chlorophenyl)-1-propanone877-37-245 % similar α-Amino-p-chloroacetophenone hydrochloride5467-71-044 % similar (4-Bromophenyl)cyclopropylmethanone6952-89-244 % similar Cyclopropyl(4-fluorophenyl)methanone772-31-644 % similar

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

Elsewhere

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