1-benzyl-2-phenylpiperazine

• ChemBase ID: 77819
• Molecular Formular: C17H20N2
• Molecular Mass: 252.3541
• Monoisotopic Mass: 252.16264865
• SMILES: N1(C(c2ccccc2)CNCC1)Cc1ccccc1
• Canonical SMILES: c1ccc(cc1)CN1CCNCC1c1ccccc1
• InChI: InChI=1S/C17H20N2/c1-3-7-15(8-4-1)14-19-12-11-18-13-17(19)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
• InChIKey: FELMQTQLBFMOHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-2-phenylpiperazine
• IUPAC Traditional name: 1-benzyl-2-phenylpiperazine
• Synonyms: 1-Benzyl-2-phenylpiperazine

Database IDs

• PubChem SID: 162104389
• PubChem CID: 98031

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.06700386
• LogD (pH = 7.4): 1.4393461
• Log P: 3.1629543
• Molar Refractivity: 79.6389 cm^3
• Polarizability: 31.546366 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant