[4-benzyl-1-(quinolin-8-ylmethyl)piperidin-4-yl]methanol

• ChemBase ID: 421848
• Molecular Formular: C23H26N2O
• Molecular Mass: 346.46534
• Monoisotopic Mass: 346.20451346
• SMILES: c1(c2ncccc2ccc1)CN1CCC(Cc2ccccc2)(CC1)CO
• Canonical SMILES: OCC1(CCN(CC1)Cc1cccc2c1nccc2)Cc1ccccc1
• InChI: InChI=1S/C23H26N2O/c26-18-23(16-19-6-2-1-3-7-19)11-14-25(15-12-23)17-21-9-4-8-20-10-5-13-24-22(20)21/h1-10,13,26H,11-12,14-18H2
• InChIKey: ZCDNJLMNMLUEPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-benzyl-1-(quinolin-8-ylmethyl)piperidin-4-yl]methanol
• IUPAC Traditional name: [4-benzyl-1-(quinolin-8-ylmethyl)piperidin-4-yl]methanol
• Synonyms: [4-benzyl-1-(8-quinolinylmethyl)-4-piperidinyl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.094956
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.51182246
• LogD (pH = 7.4): 1.9921356
• Log P: 3.807331
• Molar Refractivity: 106.1584 cm^3
• Polarizability: 42.716267 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.52
• LOG S: -3.56
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 5