7-{[2-(2-methoxyethyl)piperidin-1-yl]methyl}-1H-indole

• ChemBase ID: 492393
• Molecular Formular: C17H24N2O
• Molecular Mass: 272.38526
• Monoisotopic Mass: 272.1888634
• SMILES: N1(Cc2c3[nH]ccc3ccc2)C(CCOC)CCCC1
• Canonical SMILES: COCCC1CCCCN1Cc1cccc2c1[nH]cc2
• InChI: InChI=1S/C17H24N2O/c1-20-12-9-16-7-2-3-11-19(16)13-15-6-4-5-14-8-10-18-17(14)15/h4-6,8,10,16,18H,2-3,7,9,11-13H2,1H3
• InChIKey: BIXDROWBUOYHPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{[2-(2-methoxyethyl)piperidin-1-yl]methyl}-1H-indole
• IUPAC Traditional name: 7-{[2-(2-methoxyethyl)piperidin-1-yl]methyl}-1H-indole
• Synonyms: 7-{[2-(2-methoxyethyl)piperidin-1-yl]methyl}-1H-indole

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.126188
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5334289
• LogD (pH = 7.4): 0.27730668
• Log P: 2.936522
• Molar Refractivity: 83.4083 cm^3
• Polarizability: 33.660778 Å^3
• Polar Surface Area: 28.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.63
• LOG S: -2.42
• Polar Surface Area: 28.26 Å^2
• Rotatable Bonds: 5