5-(piperidin-1-ylmethyl)quinolin-8-ol

• ChemBase ID: 311991
• Molecular Formular: C15H18N2O
• Molecular Mass: 242.31622
• Monoisotopic Mass: 242.14191321
• SMILES: c12c(c(CN3CCCCC3)ccc2O)cccn1
• Canonical SMILES: Oc1ccc(c2c1nccc2)CN1CCCCC1
• InChI: InChI=1S/C15H18N2O/c18-14-7-6-12(11-17-9-2-1-3-10-17)13-5-4-8-16-15(13)14/h4-8,18H,1-3,9-11H2
• InChIKey: LZFBSWZQNARANH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(piperidin-1-ylmethyl)quinolin-8-ol
• IUPAC Traditional name: 5-(piperidin-1-ylmethyl)quinolin-8-ol
• Synonyms: 5-(1-piperidinylmethyl)-8-quinolinol

Database IDs

• CAS Number: 41455-83-8
• MDL Number: MFCD02644893

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.59444773
• LogD (pH = 7.4): 0.9542352
• Log P: 1.7773438
• Molar Refractivity: 72.6449 cm^3
• Polarizability: 29.449844 Å^3
• Polar Surface Area: 36.36 Å^2