N1-[1-(4-phenylphenyl)piperidin-4-yl]propane-1,3-diamine

• ChemBase ID: 693910
• Molecular Formular: C20H27N3
• Molecular Mass: 309.44848
• Monoisotopic Mass: 309.22049788
• SMILES: N1(c2ccc(cc2)c2ccccc2)CCC(CC1)NCCCN
• Canonical SMILES: NCCCNC1CCN(CC1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C20H27N3/c21-13-4-14-22-19-11-15-23(16-12-19)20-9-7-18(8-10-20)17-5-2-1-3-6-17/h1-3,5-10,19,22H,4,11-16,21H2
• InChIKey: RUCJNFVNUHEDGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N1-[1-(4-phenylphenyl)piperidin-4-yl]propane-1,3-diamine
• IUPAC Traditional name: N1-[1-(4-phenylphenyl)piperidin-4-yl]propane-1,3-diamine
• Synonyms: N-(1-biphenyl-4-ylpiperidin-4-yl)propane-1,3-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.2284462
• LogD (pH = 7.4): -1.3170317
• Log P: 2.6352491
• Molar Refractivity: 98.5944 cm^3
• Polarizability: 39.621845 Å^3
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.09
• LOG S: -3.08
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 6