1-(cinnolin-4-yl)piperidin-4-ol

• ChemBase ID: 284996
• Molecular Formular: C13H15N3O
• Molecular Mass: 229.2777
• Monoisotopic Mass: 229.12151212
• SMILES: N1(c2c3c(nnc2)cccc3)CCC(CC1)O
• Canonical SMILES: OC1CCN(CC1)c1cnnc2c1cccc2
• InChI: InChI=1S/C13H15N3O/c17-10-5-7-16(8-6-10)13-9-14-15-12-4-2-1-3-11(12)13/h1-4,9-10,17H,5-8H2
• InChIKey: FZTLNVBVTKNLJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cinnolin-4-yl)piperidin-4-ol
• IUPAC Traditional name: 1-(cinnolin-4-yl)piperidin-4-ol
• Synonyms: 1-(cinnolin-4-yl)piperidin-4-ol

Database IDs

• MDL Number: MFCD19162449
• PubChem SID: 180670527
• PubChem CID: 55213972

CALCULATED PROPERTIES

• Acid pKa: 15.177859
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.20874009
• LogD (pH = 7.4): 0.55000645
• Log P: 0.57723397
• Molar Refractivity: 67.9955 cm^3
• Polarizability: 26.29692 Å^3
• Polar Surface Area: 49.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 84 - 86°C
• Hydrophobicity(logP): 0.376

Product Information

• Purity: 95%