1-[1-(1H-indole-7-carbonyl)piperidin-4-yl]piperidin-3-ol

• ChemBase ID: 456687
• Molecular Formular: C19H25N3O2
• Molecular Mass: 327.4207
• Monoisotopic Mass: 327.19467706
• SMILES: c1(C(=O)N2CCC(N3CC(O)CCC3)CC2)c2[nH]ccc2ccc1
• Canonical SMILES: OC1CCCN(C1)C1CCN(CC1)C(=O)c1cccc2c1[nH]cc2
• InChI: InChI=1S/C19H25N3O2/c23-16-4-2-10-22(13-16)15-7-11-21(12-8-15)19(24)17-5-1-3-14-6-9-20-18(14)17/h1,3,5-6,9,15-16,20,23H,2,4,7-8,10-13H2
• InChIKey: WHLYHFGGWHBENX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(1H-indole-7-carbonyl)piperidin-4-yl]piperidin-3-ol
• IUPAC Traditional name: 1-[1-(1H-indole-7-carbonyl)piperidin-4-yl]piperidin-3-ol
• Synonyms: 1'-(1H-indol-7-ylcarbonyl)-1,4'-bipiperidin-3-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.571853
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0935884
• LogD (pH = 7.4): -0.5717785
• Log P: 1.1722689
• Molar Refractivity: 94.9709 cm^3
• Polarizability: 37.477036 Å^3
• Polar Surface Area: 59.57 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: 0.51
• LOG S: -2.02
• Polar Surface Area: 59.57 Å^2
• Rotatable Bonds: 2