chempirical

1-(2-Chlorophenyl)piperazine

C10H13ClN2CAS 39512-50-0196.68 g/mol

Open in Covalent MOL file
ClNHN
Aryl halideSecondary amineTertiary amine

Properties

Molecular formula
C10H13ClN2
Molar mass
196.68 g/mol
Exact mass
196.0767 Da
Melting point
152–154 °C
Boiling point
123–124 °C (at 2 Torr)
logP
1.75Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
39512-50-0
SMILES
Clc1ccccc1N1CCNCC1
InChIKey
PWZDJIUQHUGFRJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H13ClN2/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2

Weigh it out

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

Names and synonyms

5 names
  • Piperazine, 1-(2-chlorophenyl)-
  • Piperazine, 1-(o-chlorophenyl)-
  • 1-(o-Chlorophenyl)piperazine
  • N-(2-Chlorophenyl)piperazine
  • N-(o-Chlorophenyl)piperazine

Work with 1-(2-Chlorophenyl)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

N-(2-Chlorophenyl)piperazine monohydrochloride41202-32-889 % similar 2,3-Dichlorophenylpiperazine41202-77-173 % similar 1-(2,3-Dichlorophenyl)piperazine hydrochloride119532-26-267 % similar 1-(1-Naphthyl)piperazine57536-86-459 % similar 1-(2-Bromophenyl)piperazine1011-13-858 % similar 1-(2-Fluorophenyl)piperazine1011-15-056 % similar 2-(1-Piperazinyl)phenol1011-17-256 % similar 1-(2-Methylphenyl)piperazine39512-51-156 % similar

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

Same formula

Tryptamine hydrochloride343-94-2 1-(4-Chlorophenyl)piperazine38212-33-8 Tolazoline hydrochloride59-97-2 Chlordimeform6164-98-3 1-(3-Chlorophenyl)piperazine6640-24-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook