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

C12H15ClF2N2OCAS 135634-18-3276.71 g/mol

Open in Covalent MOL file
HClHONFFHN
Aryl halideOximeSecondary amine

Properties

Molecular formula
C12H15ClF2N2O
Molar mass
276.71 g/mol
Exact mass
276.0841 Da
logP
2.56Crippen estimate
Polar surface area
44.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
135634-18-3
SMILES
Cl.ON=C(c1ccc(F)cc1F)C1CCNCC1
InChIKey
CPVWKXXFKMUDPA-UHFFFAOYSA-N
InChI
InChI=1S/C12H14F2N2O.ClH/c13-9-1-2-10(11(14)7-9)12(16-17)8-3-5-15-6-4-8;/h1-2,7-8,15,17H,3-6H2;1H

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Names and synonyms

1 names
  • Methanone, (2,4-difluorophenyl)-4-piperidinyl-, oxime, monohydrochloride

Work with Methanone, (2,4-difluorophenyl)-4-piperidinyl-, oxime, hydrochloride (1:1)

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

(2,4-Difluorophenyl)(piperidin-4-yl)methanone hydrochloride106266-04-064 % similar 1-(2',4'-Difluorophenyl)-1-(4-piperidinyl) methanone84162-86-757 % similar p-Fluorophenyl 4-piperidyl ketone hydrochloride25519-78-244 % similar 4-(4-Fluorobenzoyl)piperidine56346-57-738 % similar (R)-2-(2,5-Difluorophenyl)pyrrolidine hydrochloride1218935-60-438 % similar 2,4-Difluorobenzoic acid1583-58-038 % similar 2,4-Difluorobenzamide85118-02-138 % similar 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride84163-13-337 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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