1-(4-chlorophenyl)piperazine hydrochloride

• ChemBase ID: 293934
• Molecular Formular: C10H14Cl2N2
• Molecular Mass: 233.13756
• Monoisotopic Mass: 232.05340382
• SMILES: Cl.Clc1ccc(cc1)N1CCNCC1
• Canonical SMILES: Clc1ccc(cc1)N1CCNCC1.Cl
• InChI: InChI=1S/C10H13ClN2.ClH/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H
• InChIKey: ZHGRQBSZTVJDHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-chlorophenyl)piperazine hydrochloride
• IUPAC Traditional name: para-chlorophenylpiperazine hydrochloride
• Synonyms: 1-(4-Chlorophenyl)piperazine hydrochloride

Database IDs

• CAS Number: 13078-12-1
• MDL Number: MFCD00060187
• PubChem SID: 180679465
• PubChem CID: 3084720

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8536226
• LogD (pH = 7.4): 0.6664841
• Log P: 2.149406
• Molar Refractivity: 56.0468 cm^3
• Polarizability: 21.479546 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%