[3-(2-methoxyethyl)-1-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperidin-3-yl]methanol

• ChemBase ID: 688812
• Molecular Formular: C19H28N2O3
• Molecular Mass: 332.43722
• Monoisotopic Mass: 332.20999277
• SMILES: C(=O)(c1c2NCCCc2ccc1)N1CC(CO)(CCC1)CCOC
• Canonical SMILES: COCCC1(CO)CCCN(C1)C(=O)c1cccc2c1NCCC2
• InChI: InChI=1S/C19H28N2O3/c1-24-12-9-19(14-22)8-4-11-21(13-19)18(23)16-7-2-5-15-6-3-10-20-17(15)16/h2,5,7,20,22H,3-4,6,8-14H2,1H3
• InChIKey: GQCJIEQDHFPDKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(2-methoxyethyl)-1-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperidin-3-yl]methanol
• IUPAC Traditional name: [3-(2-methoxyethyl)-1-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperidin-3-yl]methanol
• Synonyms: [3-(2-methoxyethyl)-1-(1,2,3,4-tetrahydro-8-quinolinylcarbonyl)-3-piperidinyl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.066476
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8406422
• LogD (pH = 7.4): 1.8420409
• Log P: 1.8420588
• Molar Refractivity: 97.1015 cm^3
• Polarizability: 36.18101 Å^3
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.46
• LOG S: -2.87
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 5