1-(2-methylquinolin-4-yl)piperidin-4-ol

• ChemBase ID: 285345
• Molecular Formular: C15H18N2O
• Molecular Mass: 242.31622
• Monoisotopic Mass: 242.14191321
• SMILES: c1(N2CCC(CC2)O)c2c(nc(c1)C)cccc2
• Canonical SMILES: OC1CCN(CC1)c1cc(C)nc2c1cccc2
• InChI: InChI=1S/C15H18N2O/c1-11-10-15(17-8-6-12(18)7-9-17)13-4-2-3-5-14(13)16-11/h2-5,10,12,18H,6-9H2,1H3
• InChIKey: ZKYGAOUQTKMZKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylquinolin-4-yl)piperidin-4-ol
• IUPAC Traditional name: 1-(2-methylquinolin-4-yl)piperidin-4-ol
• Synonyms: 1-(2-methylquinolin-4-yl)piperidin-4-ol; 4-(4-HYDROXYPIPERIDIN-1-YL)-2-METHYLQUINOLINE

Database IDs

• CAS Number: 927801-80-7
• MDL Number: MFCD08437039
• PubChem SID: 180670876
• PubChem CID: 17040069

CALCULATED PROPERTIES

• Acid pKa: 15.177861
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.10173388
• LogD (pH = 7.4): 0.494262
• Log P: 1.688374
• Molar Refractivity: 72.7237 cm^3
• Polarizability: 28.971373 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.828

Product Information

• Purity: 95%; 98%