1-(5-Trifluoromethyl-pyridin-2-yl)-piperazine

C₁₀H₁₂F₃N₃CAS 132834-58-3231.22 g/mol

Open in Covalent MOL file

Alkyl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₂F₃N₃
Molar mass: 231.22 g/mol
Exact mass: 231.0983 Da
logP: 1.51Crippen estimate
Polar surface area: 28.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

132834-58-3

SMILES

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

InChIKey

BNMSJUIMZULLAS-UHFFFAOYSA-N

InChI

InChI=1S/C10H12F3N3/c11-10(12,13)8-1-2-9(15-7-8)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2

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Names and synonyms

1 names

1-[5-(Trifluoromethyl)pyridin-2-yl]piperazine

Work with 1-(5-Trifluoromethyl-pyridin-2-yl)-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-[4-(Trifluoromethyl)phenyl]piperazine30459-17-758 % similar 1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine132834-59-453 % similar 1-[3-(Trifluoromethyl)phenyl]piperazine15532-75-949 % similar 4-(5-Nitropyridin-2-yl)piperazine82205-58-148 % similar Pyridinylpiperazine34803-66-247 % similar 1-(3-Trifluoromethylphenyl)piperazine hydrochloride16015-69-345 % similar 1-(2-Pyridyl)piperazine monohydrochloride129394-11-244 % similar 1-[2-(Trifluoromethyl)phenyl]piperazine63854-31-944 % similar

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

Same formula

1-[3-(Trifluoromethyl)-2-pyridinyl]piperazine87394-63-6

Elsewhere

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