1-[4-(Trifluoromethyl)phenyl]piperazine

C₁₁H₁₃F₃N₂CAS 30459-17-7230.23 g/mol

Open in Covalent MOL file

Alkyl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₃F₃N₂
Molar mass: 230.23 g/mol
Exact mass: 230.1031 Da
Melting point: above 300 °C
logP: 2.12Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

30459-17-7

SMILES

FC(F)(F)c1ccc(N2CCNCC2)cc1

InChIKey

IBQMAPSJLHRQPE-UHFFFAOYSA-N

InChI

InChI=1S/C11H13F3N2/c12-11(13,14)9-1-3-10(4-2-9)16-7-5-15-6-8-16/h1-4,15H,5-8H2

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Names and synonyms

7 names

Piperazine, 1-[4-(trifluoromethyl)phenyl]-
Piperazine, 1-(α,α,α-trifluoro-p-tolyl)-
1-[p-(Trifluoromethyl)phenyl]piperazine
N-(4-Trifluoromethylphenyl)piperazine
N-(α,α,α-Trifluoro-p-tolyl)piperazine
4-Trifluoromethylphenylpiperazine
CD 3-3017

Work with 1-[4-(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-Trifluoromethylphenyl)piperazine hydrochloride16015-69-359 % similar 1-(5-Trifluoromethyl-pyridin-2-yl)-piperazine132834-58-358 % similar 1-(4-Fluorophenyl)piperazine2252-63-358 % similar 1-[4-Chloro-3-(trifluoromethyl)phenyl]piperazine41213-04-157 % similar 1-(4-Chlorophenyl)piperazine38212-33-855 % similar Phenylpiperazine92-54-653 % similar 1-(4-Methylphenyl)piperazine39593-08-353 % similar 1-(4-Hydroxyphenyl)piperazine56621-48-853 % similar

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

Same formula

2-(Pyrrolidin-1-yl)-5-(trifluoromethyl)aniline133184-80-2 1-[3-(Trifluoromethyl)phenyl]piperazine15532-75-9 1-[2-(Trifluoromethyl)phenyl]piperazine63854-31-9

Elsewhere

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