1-(4-phenylquinolin-2-yl)piperidin-3-ol

• ChemBase ID: 242308
• Molecular Formular: C20H20N2O
• Molecular Mass: 304.3856
• Monoisotopic Mass: 304.15756327
• SMILES: c1(nc2c(c(c1)c1ccccc1)cccc2)N1CC(O)CCC1
• Canonical SMILES: OC1CCCN(C1)c1nc2ccccc2c(c1)c1ccccc1
• InChI: InChI=1S/C20H20N2O/c23-16-9-6-12-22(14-16)20-13-18(15-7-2-1-3-8-15)17-10-4-5-11-19(17)21-20/h1-5,7-8,10-11,13,16,23H,6,9,12,14H2
• InChIKey: KPBLWWBDVVXFFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-phenylquinolin-2-yl)piperidin-3-ol
• IUPAC Traditional name: 1-(4-phenylquinolin-2-yl)piperidin-3-ol
• Synonyms: 1-(4-phenylquinolin-2-yl)piperidin-3-ol

Database IDs

• MDL Number: MFCD22566024
• PubChem SID: 164298218
• PubChem CID: 71756988

CALCULATED PROPERTIES

• Acid pKa: 14.869828
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.7603726
• LogD (pH = 7.4): 4.2442355
• Log P: 4.2560897
• Molar Refractivity: 93.3611 cm^3
• Polarizability: 38.27462 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.971

Product Information

• Purity: 95%