chempirical

4-(3-Trifluoromethylphenyl)piperidine hydrochloride

C12H15ClF3NCAS 6652-16-0265.70 g/mol

Open in Covalent MOL file
NHFFFHCl
Alkyl halideSecondary amine

Properties

Molecular formula
C12H15ClF3N
Molar mass
265.70 g/mol
Exact mass
265.0845 Da
logP
3.59Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

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
6652-16-0
SMILES
C1CNCCC1C2=CC(=CC=C2)C(F)(F)F.Cl
InChIKey
OGZONGZRKSIERU-UHFFFAOYSA-N
InChI
InChI=1S/C12H14F3N.ClH/c13-12(14,15)11-3-1-2-10(8-11)9-4-6-16-7-5-9;/h1-3,8-9,16H,4-7H2;1H

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Names and synonyms

1 names
  • 4-(3-Trifluoromethylphenyl)piperidine, HCl

Work with 4-(3-Trifluoromethylphenyl)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

Similar compounds

4-Phenylpiperidine hydrochloride10272-49-856 % similar TFMPP hydrochloride16015-69-353 % similar 4-Phenylpiperidine771-99-347 % similar 1-[3-(Trifluoromethyl)phenyl]piperazine15532-75-947 % similar 3-Trifluoromethylphenylhydrazine hydrochloride3107-33-346 % similar 1-((3-Trifluoromethyl)phenyl)propanol-1618-97-345 % similar (R)-1-[3-(Trifluoromethyl)phenyl]ethylamine127852-30-645 % similar Alpha-methyl-3-(trifluoromethyl)benzyl alcohol454-91-145 % similar

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

Elsewhere

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