1-(5-aminopyridin-2-yl)piperidin-4-ol

• ChemBase ID: 48329
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: N1(c2ncc(N)cc2)CCC(CC1)O
• Canonical SMILES: OC1CCN(CC1)c1ccc(cn1)N
• InChI: InChI=1S/C10H15N3O/c11-8-1-2-10(12-7-8)13-5-3-9(14)4-6-13/h1-2,7,9,14H,3-6,11H2
• InChIKey: JFSQCTGGZLCLFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-aminopyridin-2-yl)piperidin-4-ol
• IUPAC Traditional name: 1-(5-aminopyridin-2-yl)piperidin-4-ol
• Synonyms: 1-(5-Amino-2-pyridinyl)-4-piperidinol

Database IDs

• CAS Number: 476342-37-7
• MDL Number: MFCD09728697
• PubChem SID: 162053092
• PubChem CID: 16781994

CALCULATED PROPERTIES

• Acid pKa: 15.177715
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.2020825
• LogD (pH = 7.4): -0.16354437
• Log P: -0.052791584
• Molar Refractivity: 57.0679 cm^3
• Polarizability: 20.810324 Å^3
• Polar Surface Area: 62.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false