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

• ChemBase ID: 101744
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: c1(N2CCCCC2)c(CO)cccn1
• Canonical SMILES: OCc1cccnc1N1CCCCC1
• InChI: InChI=1S/C11H16N2O/c14-9-10-5-4-6-12-11(10)13-7-2-1-3-8-13/h4-6,14H,1-3,7-9H2
• InChIKey: HGYMJKQSUHUNAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(piperidin-1-yl)pyridin-3-yl]methanol
• IUPAC Traditional name: [2-(piperidin-1-yl)pyridin-3-yl]methanol
• Synonyms: (2-piperidino-3-pyridinyl)methanol; (2-(Piperidin-1-yl)pyridin-3-yl)methanol

Database IDs

• CAS Number: 690632-84-9
• MDL Number: MFCD05664424
• PubChem SID: 162088546
• PubChem CID: 2794675

CALCULATED PROPERTIES

• Acid pKa: 14.647413
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9016141
• LogD (pH = 7.4): 1.5209079
• Log P: 1.5410911
• Molar Refractivity: 57.6011 cm^3
• Polarizability: 21.500813 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%