1-(2-chlorophenyl)piperazine

• ChemBase ID: 164536
• Molecular Formular: C10H13ClN2
• Molecular Mass: 196.67662
• Monoisotopic Mass: 196.07672611
• SMILES: C1NCCN(C1)c1ccccc1Cl
• Canonical SMILES: Clc1ccccc1N1CCNCC1
• InChI: InChI=1S/C10H13ClN2/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
• InChIKey: PWZDJIUQHUGFRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chlorophenyl)piperazine
• IUPAC Traditional name: 1-(2-chlorophenyl)piperazine
• Synonyms: 1-(o-Chlorophenyl)piperazine; 1-(2-Chlorophenyl)piperazine; N-(2-Chlorophenyl)piperazine; N-(o-Chlorophenyl)piperazine; 1-(2-Chlorophenyl)piperazine

Database IDs

• CAS Number: 39512-50-0
• MDL Number: MFCD00040727
• PubChem SID: 162258671
• PubChem CID: 415628

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.835547
• LogD (pH = 7.4): 0.7059826
• Log P: 2.149406
• Molar Refractivity: 56.0468 cm^3
• Polarizability: 21.495274 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%

DETAILS

Toronto Research Chemicals - C379300

1-(2-Chlorophenyl)piperazine is a piperazine derivative useful in the treatment of cardiovascular and cerebrovascular diseases.