1-[3-(Trifluoromethyl)phenyl]piperazine

C₁₁H₁₃F₃N₂CAS 15532-75-9230.23 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
logP: 2.12Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage11.4% of notifiers
H315 Causes skin irritation88.6% of notifiers
H319 Causes serious eye irritation88.6% of notifiers
H335 May cause respiratory irritation88.6% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

15532-75-9

SMILES

FC(F)(F)c1cccc(N2CCNCC2)c1

InChIKey

KKIMDKMETPPURN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

15 names · show all

Piperazine, 1-[3-(trifluoromethyl)phenyl]-
N-(3-Trifluoromethylphenyl)piperazine
N-(m-Trifluoromethylphenyl)piperazine
m-Trifluoromethylphenylpiperazine
4-[3-(Trifluoromethyl)phenyl]piperazine
TFMPP
1-(α,α,α-Trifluoro-m-tolyl)piperazine
NSC 128882
Trifluoromethylphenylpiperazine
1-(3-(Trifluromethyl)phenyl)piperazine
CD 3-3015
Piperazine, 1-(α,α,α-trifluoro-m-tolyl)-
1-[m-(Trifluoromethyl)phenyl]piperazine
N-(α,α,α-Trifluoro-m-tolyl)piperazine
1-(3-(Trifluoromethyl)phenyl)piperazine

Work with 1-[3-(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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

TFMPP hydrochloride16015-69-3Salt

Similar compounds

1-(3,5-Bis(trifluoromethyl)phenyl)piperazine16172-96-670 % similar 1-(3-Fluorophenyl)piperazine3801-89-660 % similar 1-[4-Chloro-3-(trifluoromethyl)phenyl]piperazine41213-04-159 % similar 1-(3-Chlorophenyl)piperazine6640-24-057 % similar 1-(3-Biphenylyl)piperazine115761-61-054 % similar 1-(3-Bromophenyl)piperazine31197-30-554 % similar 1-(3-Methylphenyl)piperazine41186-03-254 % similar 1-(3-Hydroxyphenyl)piperazine59817-32-254 % 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-(4-(Trifluoromethyl)phenyl)piperazine30459-17-7 1-[2-(Trifluoromethyl)phenyl]piperazine63854-31-9

Elsewhere

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