[2-(piperidin-1-yl)pyridin-4-yl]methanol

• ChemBase ID: 101319
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: c1(N2CCCCC2)nccc(c1)CO
• Canonical SMILES: OCc1ccnc(c1)N1CCCCC1
• InChI: InChI=1S/C11H16N2O/c14-9-10-4-5-12-11(8-10)13-6-2-1-3-7-13/h4-5,8,14H,1-3,6-7,9H2
• InChIKey: QAQDFPCLEBLUQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(piperidin-1-yl)pyridin-4-yl]methanol
• IUPAC Traditional name: [2-(piperidin-1-yl)pyridin-4-yl]methanol
• Synonyms: (2-piperidinopyrid-4-yl)methanol

Database IDs

• CAS Number: 888070-04-0
• MDL Number: MFCD09025858
• PubChem SID: 162087963
• PubChem CID: 18525842

CALCULATED PROPERTIES

• Acid pKa: 14.899248
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7502655
• LogD (pH = 7.4): 1.5082276
• Log P: 1.5410911
• Molar Refractivity: 57.6011 cm^3
• Polarizability: 21.500206 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%