1-(4-phenylphenyl)-N-(piperidin-4-yl)piperidin-4-amine

• ChemBase ID: 420567
• Molecular Formular: C22H29N3
• Molecular Mass: 335.48576
• Monoisotopic Mass: 335.23614794
• SMILES: N1(c2ccc(cc2)c2ccccc2)CCC(NC2CCNCC2)CC1
• Canonical SMILES: N1CCC(CC1)NC1CCN(CC1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C22H29N3/c1-2-4-18(5-3-1)19-6-8-22(9-7-19)25-16-12-21(13-17-25)24-20-10-14-23-15-11-20/h1-9,20-21,23-24H,10-17H2
• InChIKey: ZYSRKLFDDHBPLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-phenylphenyl)-N-(piperidin-4-yl)piperidin-4-amine
• IUPAC Traditional name: 1-(4-phenylphenyl)-N-(piperidin-4-yl)piperidin-4-amine
• Synonyms: 1-biphenyl-4-yl-N-piperidin-4-ylpiperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.8869398
• LogD (pH = 7.4): -0.9249357
• Log P: 3.0160315
• Molar Refractivity: 105.9356 cm^3
• Polarizability: 42.568012 Å^3
• Polar Surface Area: 27.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.16
• LOG S: -3.34
• Polar Surface Area: 27.3 Å^2
• Rotatable Bonds: 4