1-(3-phenylphenyl)-N-[2-(pyridin-3-yl)ethyl]piperidin-4-amine

• ChemBase ID: 593660
• Molecular Formular: C24H27N3
• Molecular Mass: 357.49128
• Monoisotopic Mass: 357.22049788
• SMILES: N1(c2cc(c3ccccc3)ccc2)CCC(CC1)NCCc1cnccc1
• Canonical SMILES: c1ccc(cc1)c1cccc(c1)N1CCC(CC1)NCCc1cccnc1
• InChI: InChI=1S/C24H27N3/c1-2-7-21(8-3-1)22-9-4-10-24(18-22)27-16-12-23(13-17-27)26-15-11-20-6-5-14-25-19-20/h1-10,14,18-19,23,26H,11-13,15-17H2
• InChIKey: UPWSBQOYEZJKKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-phenylphenyl)-N-[2-(pyridin-3-yl)ethyl]piperidin-4-amine
• IUPAC Traditional name: 1-(3-phenylphenyl)-N-[2-(pyridin-3-yl)ethyl]piperidin-4-amine
• Synonyms: 1-(3-biphenylyl)-N-[2-(3-pyridinyl)ethyl]-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.92318326
• LogD (pH = 7.4): 1.6611704
• Log P: 4.167735
• Molar Refractivity: 112.9899 cm^3
• Polarizability: 44.873817 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.15
• LOG S: -3.04
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 6