1-[1-(2,2-diphenylethyl)piperidin-3-yl]-4-phenylpiperazine

• ChemBase ID: 646031
• Molecular Formular: C29H35N3
• Molecular Mass: 425.6083
• Monoisotopic Mass: 425.28309814
• SMILES: N1(C2CN(CC(c3ccccc3)c3ccccc3)CCC2)CCN(CC1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)N1CCN(CC1)C1CCCN(C1)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C29H35N3/c1-4-11-25(12-5-1)29(26-13-6-2-7-14-26)24-30-18-10-17-28(23-30)32-21-19-31(20-22-32)27-15-8-3-9-16-27/h1-9,11-16,28-29H,10,17-24H2
• InChIKey: WCADAWCJNRQLBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(2,2-diphenylethyl)piperidin-3-yl]-4-phenylpiperazine
• IUPAC Traditional name: 1-[1-(2,2-diphenylethyl)piperidin-3-yl]-4-phenylpiperazine
• Synonyms: 1-[1-(2,2-diphenylethyl)-3-piperidinyl]-4-phenylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2254348
• LogD (pH = 7.4): 3.2634606
• Log P: 5.9245296
• Molar Refractivity: 135.7012 cm^3
• Polarizability: 52.55624 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.86
• LOG S: -4.91
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 6