chempirical

1-(3-Trifluoromethylphenyl)piperazine hydrochloride

C11H14ClF3N2CAS 16015-69-3266.69 g/mol

Open in Covalent MOL file
HClFFFNNH
Alkyl halideSecondary amineTertiary amine

Properties

Molecular formula
C11H14ClF3N2
Molar mass
266.69 g/mol
Exact mass
266.0798 Da
logP
2.54Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
16015-69-3
SMILES
Cl.FC(F)(F)c1cccc(N2CCNCC2)c1
InChIKey
DGNLGWJZZZOYPT-UHFFFAOYSA-N
InChI
InChI=1S/C11H13F3N2.ClH/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16;/h1-3,8,15H,4-7H2;1H

Weigh it out

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

Names and synonyms

3 names
  • Piperazine, 1-[3-(trifluoromethyl)phenyl]-, hydrochloride (1:1)
  • Piperazine, 1-(α,α,α-trifluoro-m-tolyl)-, monohydrochloride
  • Piperazine, 1-[3-(trifluoromethyl)phenyl]-, monohydrochloride

Work with 1-(3-Trifluoromethylphenyl)piperazine hydrochloride

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-(Trifluoromethyl)phenyl]piperazine15532-75-991 % similar 1-(3-Chlorophenyl)piperazine hydrochloride13078-15-461 % similar 1-(3-Chlorophenyl)piperazine dihydrochloride51639-49-761 % similar Piperazine, 1-(3-chlorophenyl)-, hydrochloride (1:?)65369-76-861 % similar 1-[4-(Trifluoromethyl)phenyl]piperazine30459-17-759 % similar 1-(3-Methylphenyl)piperazine dihydrochloride13078-13-257 % similar 1-Phenylpiperazine hydrochloride2210-93-756 % similar 1-(3-Fluorophenyl)piperazine3801-89-655 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook