1-[3-(Trifluoromethyl)-2-pyridinyl]piperazine

C₁₀H₁₂F₃N₃CAS 87394-63-6231.22 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

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

87394-63-6

SMILES

FC(F)(F)c1cccnc1N1CCNCC1

InChIKey

FRFKCMNQNNNZNO-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Piperazine, 1-[3-(trifluoromethyl)-2-pyridinyl]-
1-(3-Trifluoromethyl-2-pyridyl)piperazine
1-(3-Trifluoromethylpyridin-2-yl)piperazine
1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine

Work with 1-[3-(Trifluoromethyl)-2-pyridinyl]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-[2-(Trifluoromethyl)phenyl]piperazine63854-31-958 % similar 2-Piperazinonicotinonitrile84951-44-054 % similar 2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine179756-91-349 % similar Pyridinylpiperazine34803-66-246 % similar 2,3-Bis(trifluoromethyl)pyridine1644-68-446 % similar Pyrimidinylpiperazine20980-22-746 % similar 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine132834-59-446 % similar 1-[4-Chloro-3-(trifluoromethyl)phenyl]piperazine41213-04-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(5-Trifluoromethyl-pyridin-2-yl)-piperazine132834-58-3

Elsewhere

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