1-[(2-chlorophenyl)(phenyl)methyl]piperazine

• ChemBase ID: 267638
• Molecular Formular: C17H19ClN2
• Molecular Mass: 286.79916
• Monoisotopic Mass: 286.1236763
• SMILES: c1(C(N2CCNCC2)c2ccccc2)c(Cl)cccc1
• Canonical SMILES: Clc1ccccc1C(c1ccccc1)N1CCNCC1
• InChI: InChI=1S/C17H19ClN2/c18-16-9-5-4-8-15(16)17(14-6-2-1-3-7-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2
• InChIKey: RLZPNIGECDMAJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-chlorophenyl)(phenyl)methyl]piperazine
• IUPAC Traditional name: 1-[(2-chlorophenyl)(phenyl)methyl]piperazine
• Synonyms: 1-[(2-chlorophenyl)(phenyl)methyl]piperazine

Database IDs

• MDL Number: MFCD05186073
• PubChem SID: 164323548
• PubChem CID: 5234748

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.63464963
• LogD (pH = 7.4): 1.9542735
• Log P: 3.766999
• Molar Refractivity: 84.4437 cm^3
• Polarizability: 33.34018 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.936

Product Information

• Purity: 95%