1-(3-aminopyridin-2-yl)piperidin-4-ol

• ChemBase ID: 48519
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: N1(c2ncccc2N)CCC(CC1)O
• Canonical SMILES: OC1CCN(CC1)c1ncccc1N
• InChI: InChI=1S/C10H15N3O/c11-9-2-1-5-12-10(9)13-6-3-8(14)4-7-13/h1-2,5,8,14H,3-4,6-7,11H2
• InChIKey: RHVPVIHKAXXDOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-aminopyridin-2-yl)piperidin-4-ol
• IUPAC Traditional name: 1-(3-aminopyridin-2-yl)piperidin-4-ol
• Synonyms: 1-(3-aminopyridin-2-yl)piperidin-4-ol; 1-(3-Amino-2-pyridinyl)-4-piperidinol

Database IDs

• MDL Number: MFCD09742956
• PubChem SID: 162053282
• PubChem CID: 16796136

CALCULATED PROPERTIES

• Acid pKa: 15.177713
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.2626742
• LogD (pH = 7.4): -0.19406712
• Log P: -0.052791584
• Molar Refractivity: 57.0679 cm^3
• Polarizability: 20.811666 Å^3
• Polar Surface Area: 62.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.382

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%