[6-(piperidin-1-yl)pyridin-3-yl]methanol

• ChemBase ID: 77125
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: N1(c2ncc(cc2)CO)CCCCC1
• Canonical SMILES: OCc1ccc(nc1)N1CCCCC1
• InChI: InChI=1S/C11H16N2O/c14-9-10-4-5-11(12-8-10)13-6-2-1-3-7-13/h4-5,8,14H,1-3,6-7,9H2
• InChIKey: VLAMDMADWWGEDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(piperidin-1-yl)pyridin-3-yl]methanol
• IUPAC Traditional name: [6-(piperidin-1-yl)pyridin-3-yl]methanol
• Synonyms: (Piperidino-3-pyridinyl)methanol; 6-Piperidin-1-yl-3-(hydroxymethyl)pyridine

Database IDs

• CAS Number: 690631-99-3
• MDL Number: MFCD05865147
• PubChem SID: 162041999
• PubChem CID: 2794792

CALCULATED PROPERTIES

• Acid pKa: 14.842657
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9576214
• LogD (pH = 7.4): 1.5243367
• Log P: 1.5410911
• Molar Refractivity: 57.6011 cm^3
• Polarizability: 21.500525 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69-71°C

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 97%