4-(3-Trifluoromethylphenyl)piperidine hydrochloride

C₁₂H₁₅ClF₃NCAS 6652-16-0265.70 g/mol

Open in Covalent MOL file

Alkyl halide Secondary 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers
H412 Harmful to aquatic life with long lasting effects50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-(Trifluoromethyl)phenyl)hydrazine 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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