2-(piperidin-1-yl)quinolin-8-ol

• ChemBase ID: 113390
• Molecular Formular: C14H16N2O
• Molecular Mass: 228.28964
• Monoisotopic Mass: 228.12626314
• SMILES: n1c(N2CCCCC2)ccc2c1c(O)ccc2
• Canonical SMILES: Oc1cccc2c1nc(cc2)N1CCCCC1
• InChI: InChI=1S/C14H16N2O/c17-12-6-4-5-11-7-8-13(15-14(11)12)16-9-2-1-3-10-16/h4-8,17H,1-3,9-10H2
• InChIKey: MMMWXCLCXPKPSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)quinolin-8-ol
• IUPAC Traditional name: 2-(piperidin-1-yl)quinolin-8-ol
• Synonyms: 2-(1-piperidinyl)-8-quinolinol; 2-(piperidin-1-yl)quinolin-8-ol; 2-Piperidin-1-yl-quinolin-8-ol

Database IDs

• CAS Number: 31570-94-2
• MDL Number: MFCD00168935
• PubChem SID: 162098711
• PubChem CID: 275310

CALCULATED PROPERTIES

• Acid pKa: 9.327914
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7897835
• LogD (pH = 7.4): 3.3492641
• Log P: 3.3802028
• Molar Refractivity: 68.8443 cm^3
• Polarizability: 27.196903 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69 - 71°C
• Partition Coefficient: 3.092
• Hydrophobicity(logP): 3.464

Product Information

• Purity: 95%; 95+%