4-(pyridin-3-yl)piperidin-4-ol

• ChemBase ID: 76404
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: N1CCC(c2cnccc2)(CC1)O
• Canonical SMILES: OC1(CCNCC1)c1cccnc1
• InChI: InChI=1S/C10H14N2O/c13-10(3-6-11-7-4-10)9-2-1-5-12-8-9/h1-2,5,8,11,13H,3-4,6-7H2
• InChIKey: VVJAZRLYMFLGML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-3-yl)piperidin-4-ol
• IUPAC Traditional name: 4-(pyridin-3-yl)piperidin-4-ol
• Synonyms: 4-pyridin-3-ylpiperidin-4-ol; 4-(Pyridin-3-yl)piperidin-4-ol; 4-Hydroxy-4-(pyridin-3-yl)piperidine

Database IDs

• CAS Number: 50461-59-1
• MDL Number: MFCD04117758
• PubChem SID: 162041309
• PubChem CID: 4989167

CALCULATED PROPERTIES

• Acid pKa: 13.788225
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.636423
• LogD (pH = 7.4): -2.3754287
• Log P: -0.44424948
• Molar Refractivity: 50.763 cm^3
• Polarizability: 20.046305 Å^3
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant