1-(4-(Trifluoromethyl)phenyl)piperazine

C11H13F3N2CAS 30459-17-7230.23 g/mol

Open in Covalent MOL file
FFFNNH
Alkyl halideSecondary amineTertiary 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

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

Weigh it out

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

Names and synonyms

8 names
  • 1-[4-(Trifluoromethyl)phenyl]piperazine
  • 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-(3,5-Bis(trifluoromethyl)phenyl)piperazine16172-96-668 % similar TFMPP 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-(p-Tolyl)piperazine39593-08-353 % 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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