4-(Trifluoromethyl)piperidine hydrochloride

C6H11ClF3NCAS 155849-49-3189.61 g/mol

Open in Covalent MOL file
NHFFFHCl
Alkyl halideSecondary amine

Properties

Molecular formula
C6H11ClF3N
Molar mass
189.61 g/mol
Exact mass
189.0532 Da
logP
1.97Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
155849-49-3
SMILES
C1CNCCC1C(F)(F)F.Cl
InChIKey
KMUKXPQVPQUCDB-UHFFFAOYSA-N
InChI
InChI=1S/C6H10F3N.ClH/c7-6(8,9)5-1-3-10-4-2-5;/h5,10H,1-4H2;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-(Trifluoromethyl)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

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.

4-(Trifluoromethyl)piperidine657-36-3Free base

Similar compounds

4-Fluoropiperidine hydrochloride57395-89-848 % similar 4,4′-Dipiperidine dihydrochloride78619-84-848 % similar 3-(Trifluoromethyl)piperidine768-31-046 % similar 4,4-Difluoropiperidine hydrochloride144230-52-442 % similar 4-Aminopiperidine dihydrochloride35621-01-342 % similar 4-Hydroxypiperidinium chloride5382-17-242 % similar 4-Chloropiperidine hydrochloride5382-19-442 % similar 4-(Trifluoromethyl)cyclohexan-1-ol30129-18-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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