2-(4-chlorophenyl)piperazine dihydrochloride

• ChemBase ID: 76324
• Molecular Formular: C10H15Cl3N2
• Molecular Mass: 269.5985
• Monoisotopic Mass: 268.03008153
• SMILES: N1C(c2ccc(cc2)Cl)CNCC1.Cl.Cl
• Canonical SMILES: Clc1ccc(cc1)C1NCCNC1.Cl.Cl
• InChI: InChI=1S/C10H13ClN2.2ClH/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10;;/h1-4,10,12-13H,5-7H2;2*1H
• InChIKey: FKKKAACZISPRMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)piperazine dihydrochloride
• IUPAC Traditional name: 2-(4-chlorophenyl)piperazine dihydrochloride
• Synonyms: 2-(4-chlorophenyl)piperazine dihydrochloride

Database IDs

• MDL Number: MFCD03840170
• PubChem SID: 162041230
• PubChem CID: 17749806

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4318666
• LogD (pH = 7.4): 0.06683891
• Log P: 1.6594781
• Molar Refractivity: 54.5364 cm^3
• Polarizability: 21.875025 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true