chempirical

1-[4-Chloro-3-(trifluoromethyl)phenyl]piperazine

C11H12ClF3N2CAS 41213-04-1264.68 g/mol

Open in Covalent MOL file
FFFNNHCl
Alkyl halideAryl halideSecondary amineTertiary amine

Properties

Molecular formula
C11H12ClF3N2
Molar mass
264.68 g/mol
Exact mass
264.0641 Da
logP
2.77Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
41213-04-1
SMILES
FC(F)(F)c1cc(N2CCNCC2)ccc1Cl
InChIKey
SOVLQDJRXJFKHO-UHFFFAOYSA-N
InChI
InChI=1S/C11H12ClF3N2/c12-10-2-1-8(7-9(10)11(13,14)15)17-5-3-16-4-6-17/h1-2,7,16H,3-6H2

Weigh it out

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

Names and synonyms

5 names
  • Piperazine, 1-[4-chloro-3-(trifluoromethyl)phenyl]-
  • 1-(3-Trifluoromethyl-4-chlorophenyl)piperazine
  • 4-(4-Chloro-3-trifluoromethylphenyl)piperazine
  • 4-(3-Trifluoromethyl-4-chlorophenyl)piperazine
  • N-(4-Chloro-3-trifluoromethylphenyl)piperazine

Work with 1-[4-Chloro-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

Similar compounds

1-(3,4-Dichlorophenyl)piperazine57260-67-063 % similar 1-[3-(Trifluoromethyl)phenyl]piperazine15532-75-959 % similar Piperazine, 1-(3,4-dichlorophenyl)-, hydrochloride (1:2)76835-17-158 % similar 1-[4-(Trifluoromethyl)phenyl]piperazine30459-17-757 % similar 1-(3-Trifluoromethylphenyl)piperazine hydrochloride16015-69-355 % similar 4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-piperidinol21928-50-752 % similar 1-[2-(Trifluoromethyl)phenyl]piperazine63854-31-950 % similar 1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine132834-59-449 % similar

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

Elsewhere

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