[6-(piperidin-1-yl)pyridin-2-yl]methanol

• ChemBase ID: 92227
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: n1c(cccc1N1CCCCC1)CO
• Canonical SMILES: OCc1cccc(n1)N1CCCCC1
• InChI: InChI=1S/C11H16N2O/c14-9-10-5-4-6-11(12-10)13-7-2-1-3-8-13/h4-6,14H,1-3,7-9H2
• InChIKey: WLHPFWHASVOLSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(piperidin-1-yl)pyridin-2-yl]methanol
• IUPAC Traditional name: [6-(piperidin-1-yl)pyridin-2-yl]methanol
• Synonyms: (6-piperidinopyrid-2-yl)methanol; 2-(Hydroxymethyl)-6-piperidin-1-ylpyridine; (6-Piperidin-1-ylpyridin-2-yl)methanol 97%

Database IDs

• CAS Number: 869901-07-5
• MDL Number: MFCD08690242
• PubChem SID: 162078925
• PubChem CID: 18525733

CALCULATED PROPERTIES

• Acid pKa: 14.305332
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.98150593
• LogD (pH = 7.4): 1.6038024
• Log P: 1.622563
• Molar Refractivity: 57.0789 cm^3
• Polarizability: 21.501608 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 118-120°C

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 97%