[1-(6-aminopyridin-3-yl)piperidin-4-yl]methanol

• ChemBase ID: 269046
• Molecular Formular: C11H17N3O
• Molecular Mass: 207.27218
• Monoisotopic Mass: 207.13716218
• SMILES: N1(c2cnc(N)cc2)CCC(CC1)CO
• Canonical SMILES: OCC1CCN(CC1)c1ccc(nc1)N
• InChI: InChI=1S/C11H17N3O/c12-11-2-1-10(7-13-11)14-5-3-9(8-15)4-6-14/h1-2,7,9,15H,3-6,8H2,(H2,12,13)
• InChIKey: JJXDPXRBTAEOFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(6-aminopyridin-3-yl)piperidin-4-yl]methanol
• IUPAC Traditional name: [1-(6-aminopyridin-3-yl)piperidin-4-yl]methanol
• Synonyms: [1-(6-aminopyridin-3-yl)piperidin-4-yl]methanol

Database IDs

• MDL Number: MFCD11101615
• PubChem SID: 164324956
• PubChem CID: 43133148

CALCULATED PROPERTIES

• Acid pKa: 15.467152
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.7367215
• LogD (pH = 7.4): 0.29906306
• Log P: 0.40780917
• Molar Refractivity: 61.8859 cm^3
• Polarizability: 22.648909 Å^3
• Polar Surface Area: 62.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.237

Product Information

• Purity: 95%