chempirical

1-(2',4'-Difluorophenyl)-1-(4-piperidinyl) methanone

C12H13F2NOCAS 84162-86-7225.24 g/mol

Open in Covalent MOL file
NHOFF
Aryl halideKetoneSecondary amine

Properties

Molecular formula
C12H13F2NO
Molar mass
225.24 g/mol
Exact mass
225.0965 Da
logP
2.15Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
84162-86-7
SMILES
C1CNCCC1C(=O)C2=C(C=C(C=C2)F)F
InChIKey
WQJPGQDCLBMXMH-UHFFFAOYSA-N
InChI
InChI=1S/C12H13F2NO/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

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Names and synonyms

1 names
  • (2,4-Difluorophenyl)(piperidin-4-yl)methanone

Work with 1-(2',4'-Difluorophenyl)-1-(4-piperidinyl) methanone

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.

(2,4-Difluorophenyl)(piperidin-4-yl)methanone hydrochloride106266-04-0Salt

Similar compounds

4-(4-Fluorobenzoyl)piperidine56346-57-762 % similar Methanone, (2,4-difluorophenyl)-4-piperidinyl-, oxime, hydrochloride (1:1)135634-18-357 % similar 4-(4-Fluorobenzoyl)piperidine hydrochloride25519-78-257 % similar 2-Bromo-2',4'-difluoroacetophenone102429-07-247 % similar 2,4-Difluorobenzoic acid hydrazide118737-62-547 % similar 2-Chloro-1-(2,4-difluorophenyl)ethanone51336-94-847 % similar 2-Amino-2',4'-difluoroacetophenone643029-92-947 % similar 1-(2,4-Difluorophenyl)-1-propanone85068-30-047 % similar

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

Elsewhere

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