4-(Trifluoromethyl)piperidine hydrochloride

C₆H₁₁ClF₃NCAS 155849-49-3189.61 g/mol

Open in Covalent MOL file

Alkyl halide Secondary 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

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

4,4′-Dipiperidine dihydrochloride78619-84-848 % similar 4,4-Difluoropiperidine hydrochloride144230-52-442 % similar 4-Aminopiperidine dihydrochloride35621-01-342 % similar 4-Hydroxypiperidine hydrochloride5382-17-242 % similar 4-(Trifluoromethyl)cyclohexan-1-ol30129-18-141 % similar 4-(Trifluoromethyl)cyclohexanamine58665-70-641 % similar α,α-Diphenyl-4-piperidinemethanol hydrochloride1798-50-140 % similar (R)-(-)-3-Pyrrolidinol hydrochloride104706-47-039 % similar

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

Elsewhere

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