1-(3,5-Bis(trifluoromethyl)phenyl)piperazine

C₁₂H₁₂F₆N₂CAS 16172-96-6298.23 g/mol

Open in Covalent MOL file

Alkyl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₂H₁₂F₆N₂
Molar mass: 298.23 g/mol
Exact mass: 298.0905 Da
logP: 3.13Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

16172-96-6

SMILES

C1CN(CCN1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChIKey

KBJABLNQZCSKGE-UHFFFAOYSA-N

InChI

InChI=1S/C12H12F6N2/c13-11(14,15)8-5-9(12(16,17)18)7-10(6-8)20-3-1-19-2-4-20/h5-7,19H,1-4H2

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

Names and synonyms

1 names

1-(3,5-Bistrifluoromethylphenyl)-piperazine

Work with 1-(3,5-Bis(trifluoromethyl)phenyl)piperazine

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

1-[3-(Trifluoromethyl)phenyl]piperazine15532-75-970 % similar 1-[4-(Trifluoromethyl)phenyl]piperazine30459-17-768 % similar 1-(3-Trifluoromethylphenyl)piperazine hydrochloride16015-69-364 % similar 1-[4-Chloro-3-(trifluoromethyl)phenyl]piperazine41213-04-153 % similar 1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine132834-59-453 % similar 1-(5-Trifluoromethyl-pyridin-2-yl)-piperazine132834-58-350 % similar 1-(3,5-Dichlorophenyl)piperazine55827-50-450 % similar 3,5-Bis(trifluoromethyl)benzyl chloride75462-59-847 % similar

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

Elsewhere

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