1-(2-phenylphenyl)piperazine

• ChemBase ID: 125144
• Molecular Formular: C16H18N2
• Molecular Mass: 238.32752
• Monoisotopic Mass: 238.14699859
• SMILES: c1c(c(ccc1)N1CCNCC1)c1ccccc1
• Canonical SMILES: N1CCN(CC1)c1ccccc1c1ccccc1
• InChI: InChI=1S/C16H18N2/c1-2-6-14(7-3-1)15-8-4-5-9-16(15)18-12-10-17-11-13-18/h1-9,17H,10-13H2
• InChIKey: RKRVRTJVCWZOQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-phenylphenyl)piperazine
• IUPAC Traditional name: 1-(2-diphenyl)piperazine
• Synonyms: 1-(2-Diphenyl)piperazine

Database IDs

• PubChem SID: 162219494
• PubChem CID: 2737389
• CHEMBL: 494675
• Chemspider ID: 2019031
• Wikipedia Title: 1-(2-Diphenyl)piperazine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.19399658
• LogD (pH = 7.4): 1.7195708
• Log P: 3.1925867
• Molar Refractivity: 76.3782 cm^3
• Polarizability: 30.729513 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true