2-(2-chlorophenyl)piperazine

• ChemBase ID: 816205
• Molecular Formular: C10H13ClN2
• Molecular Mass: 196.67662
• Monoisotopic Mass: 196.07672611
• SMILES: C1(CNCCN1)c1c(cccc1)Cl
• Canonical SMILES: Clc1ccccc1C1CNCCN1
• InChI: InChI=1S/C10H13ClN2/c11-9-4-2-1-3-8(9)10-7-12-5-6-13-10/h1-4,10,12-13H,5-7H2
• InChIKey: JBRNEAZTLHDKBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)piperazine
• IUPAC Traditional name: 2-(2-chlorophenyl)piperazine
• Synonyms: 2-(2-CHLOROPHENYL)PIPERAZINE

Database IDs

• CAS Number: 65709-26-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.3083384
• LogD (pH = 7.4): 0.27555203
• Log P: 1.6594781
• Molar Refractivity: 54.5364 cm^3
• Polarizability: 21.880188 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%