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

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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 5'-Trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-carboxylic acid406476-31-154 % similar 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine132834-59-453 % similar 6-Piperazinonicotinonitrile149554-29-053 % similar 1-(3,5-Bis(trifluoromethyl)phenyl)piperazine16172-96-650 % similar 1-[3-Chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane231953-40-549 % similar 1-[3-(Trifluoromethyl)phenyl]piperazine15532-75-949 % similar 4-(5-Nitropyridin-2-yl)piperazine82205-58-148 % 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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