4-(pyridin-2-yl)piperidin-4-ol

• ChemBase ID: 66994
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: N1CCC(CC1)(O)c1ccccn1
• Canonical SMILES: OC1(CCNCC1)c1ccccn1
• InChI: InChI=1S/C10H14N2O/c13-10(4-7-11-8-5-10)9-3-1-2-6-12-9/h1-3,6,11,13H,4-5,7-8H2
• InChIKey: BUJRWALNQXWLLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-2-yl)piperidin-4-ol
• IUPAC Traditional name: 4-(pyridin-2-yl)piperidin-4-ol
• Synonyms: 4-pyridin-2-ylpiperidin-4-ol; 4-(2-Pyridinyl)-4-piperidinol; 4-Hydroxy-4-pyridin-2-ylpiperidine

Database IDs

• CAS Number: 50461-56-8
• MDL Number: MFCD04117757; MFCD13031905
• PubChem SID: 162032730
• PubChem CID: 3613363

CALCULATED PROPERTIES

• Acid pKa: 13.368456
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.196939
• LogD (pH = 7.4): -1.9524413
• Log P: -0.05839915
• Molar Refractivity: 50.391 cm^3
• Polarizability: 20.047586 Å^3
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%