[3-benzyl-1-(quinolin-8-ylmethyl)piperidin-3-yl]methanol

• ChemBase ID: 571072
• Molecular Formular: C23H26N2O
• Molecular Mass: 346.46534
• Monoisotopic Mass: 346.20451346
• SMILES: c1(c2ncccc2ccc1)CN1CC(Cc2ccccc2)(CO)CCC1
• Canonical SMILES: OCC1(CCCN(C1)Cc1cccc2c1nccc2)Cc1ccccc1
• InChI: InChI=1S/C23H26N2O/c26-18-23(15-19-7-2-1-3-8-19)12-6-14-25(17-23)16-21-10-4-9-20-11-5-13-24-22(20)21/h1-5,7-11,13,26H,6,12,14-18H2
• InChIKey: NZLDOEGINURESY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-benzyl-1-(quinolin-8-ylmethyl)piperidin-3-yl]methanol
• IUPAC Traditional name: [3-benzyl-1-(quinolin-8-ylmethyl)piperidin-3-yl]methanol
• Synonyms: [3-benzyl-1-(8-quinolinylmethyl)-3-piperidinyl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.060437
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6327693
• LogD (pH = 7.4): 2.0521889
• Log P: 3.9632385
• Molar Refractivity: 106.0044 cm^3
• Polarizability: 42.716198 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: -3.55
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 5