[1-(3-aminopyridin-2-yl)piperidin-4-yl]methanol

• ChemBase ID: 267086
• Molecular Formular: C11H17N3O
• Molecular Mass: 207.27218
• Monoisotopic Mass: 207.13716218
• SMILES: N1(c2ncccc2N)CCC(CC1)CO
• Canonical SMILES: OCC1CCN(CC1)c1ncccc1N
• InChI: InChI=1S/C11H17N3O/c12-10-2-1-5-13-11(10)14-6-3-9(8-15)4-7-14/h1-2,5,9,15H,3-4,6-8,12H2
• InChIKey: SBYMDWJJSFUUEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3-aminopyridin-2-yl)piperidin-4-yl]methanol
• IUPAC Traditional name: [1-(3-aminopyridin-2-yl)piperidin-4-yl]methanol
• Synonyms: [1-(3-aminopyridin-2-yl)piperidin-4-yl]methanol

Database IDs

• MDL Number: MFCD11133013
• PubChem SID: 164322996
• PubChem CID: 43133152

CALCULATED PROPERTIES

• Acid pKa: 15.46715
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.8028649
• LogD (pH = 7.4): 0.26606244
• Log P: 0.40780917
• Molar Refractivity: 61.8859 cm^3
• Polarizability: 22.650545 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%