1-(4-phenylphenyl)piperazine

• ChemBase ID: 91982
• Molecular Formular: C16H18N2
• Molecular Mass: 238.32752
• Monoisotopic Mass: 238.14699859
• SMILES: N1(c2ccc(cc2)c2ccccc2)CCNCC1
• Canonical SMILES: N1CCN(CC1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C16H18N2/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)18-12-10-17-11-13-18/h1-9,17H,10-13H2
• InChIKey: OAKBDDKEEOAXNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-phenylphenyl)piperazine
• IUPAC Traditional name: 1-(4-phenylphenyl)piperazine
• Synonyms: 4-(Piperazin-1-yl)biphenyl; 1-(Biphenyl-4-yl)piperazine; 1-Biphenyl-4-yl-piperazine

Database IDs

• CAS Number: 180698-19-5
• MDL Number: MFCD02093529
• PubChem SID: 162078680
• PubChem CID: 2735513

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.18763068
• LogD (pH = 7.4): 1.7053196
• Log P: 3.1925867
• Molar Refractivity: 76.3782 cm^3
• Polarizability: 30.72604 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%