4-(5-methylpyridin-2-yl)-1-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperidin-4-ol

• ChemBase ID: 817137
• Molecular Formular: C21H25N3O2
• Molecular Mass: 351.4421
• Monoisotopic Mass: 351.19467706
• SMILES: c1(C(=O)N2CCC(c3ncc(cc3)C)(CC2)O)c2NCCCc2ccc1
• Canonical SMILES: Cc1ccc(nc1)C1(O)CCN(CC1)C(=O)c1cccc2c1NCCC2
• InChI: InChI=1S/C21H25N3O2/c1-15-7-8-18(23-14-15)21(26)9-12-24(13-10-21)20(25)17-6-2-4-16-5-3-11-22-19(16)17/h2,4,6-8,14,22,26H,3,5,9-13H2,1H3
• InChIKey: VFCGVIRJGUNUCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-methylpyridin-2-yl)-1-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperidin-4-ol
• IUPAC Traditional name: 4-(5-methylpyridin-2-yl)-1-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperidin-4-ol
• Synonyms: 4-(5-methylpyridin-2-yl)-1-(1,2,3,4-tetrahydroquinolin-8-ylcarbonyl)piperidin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.397561
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.4063668
• LogD (pH = 7.4): 2.524623
• Log P: 2.5263743
• Molar Refractivity: 103.773 cm^3
• Polarizability: 38.572052 Å^3
• Polar Surface Area: 65.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.93
• LOG S: -3.41
• Polar Surface Area: 65.46 Å^2
• Rotatable Bonds: 2