(2,4-Difluorophenyl)(piperidin-4-yl)methanone hydrochloride

C₁₂H₁₄ClF₂NOCAS 106266-04-0261.70 g/mol

Open in Covalent MOL file

Aryl halide Ketone Secondary amine

Properties

Molecular formula: C₁₂H₁₄ClF₂NO
Molar mass: 261.70 g/mol
Exact mass: 261.0732 Da
logP: 2.57Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 6 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

106266-04-0

SMILES

Cl.O=C(c1ccc(F)cc1F)C1CCNCC1

InChIKey

QPJONRGTWKXJLG-UHFFFAOYSA-N

InChI

InChI=1S/C12H13F2NO.ClH/c13-9-1-2-10(11(14)7-9)12(16)8-3-5-15-6-4-8;/h1-2,7-8,15H,3-6H2;1H

Weigh it out

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

Names and synonyms

3 names

Methanone, (2,4-difluorophenyl)-4-piperidinyl-, hydrochloride (1:1)
Methanone, (2,4-difluorophenyl)-4-piperidinyl-, hydrochloride
4-(2,4-Difluorobenzoyl)piperidine hydrochloride

Work with (2,4-Difluorophenyl)(piperidin-4-yl)methanone 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.

1-(2',4'-Difluorophenyl)-1-(4-piperidinyl) methanone84162-86-7Free base

Similar compounds

p-Fluorophenyl 4-piperidyl ketone hydrochloride25519-78-264 % similar Methanone, (2,4-difluorophenyl)-4-piperidinyl-, oxime, hydrochloride (1:1)135634-18-364 % similar 4-(4-Fluorobenzoyl)piperidine56346-57-757 % similar 4-(4-Chlorobenzoyl)piperidine hydrochloride55695-51-747 % similar 2-Bromo-2',4'-difluoroacetophenone102429-07-243 % similar 2,4-Difluorobenzoic acid hydrazide118737-62-543 % similar 2-Chloro-1-(2,4-difluorophenyl)ethanone51336-94-843 % similar 2-Amino-2',4'-difluoroacetophenone643029-92-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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