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

C₁₂H₁₅ClF₂N₂OCAS 135634-18-3276.71 g/mol

Open in Covalent MOL file

Aryl halide Oxime Secondary 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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

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 4-(4-Fluorobenzoyl)piperidine hydrochloride25519-78-244 % 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 1-(2,4-Difluorophenyl)piperazine115761-79-036 % similar Ethyl 2,4-difluorobenzoate108928-00-336 % similar

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

Elsewhere

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