4-(piperidin-1-yl)pyridine-2-carboxylic acid

• ChemBase ID: 90867
• Molecular Formular: C11H14N2O2
• Molecular Mass: 206.24106
• Monoisotopic Mass: 206.1055277
• SMILES: n1c(cc(cc1)N1CCCCC1)C(=O)O
• Canonical SMILES: OC(=O)c1nccc(c1)N1CCCCC1
• InChI: InChI=1S/C11H14N2O2/c14-11(15)10-8-9(4-5-12-10)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,14,15)
• InChIKey: SKWHGCFXCHSXOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-1-yl)pyridine-2-carboxylic acid
• IUPAC Traditional name: 4-(piperidin-1-yl)pyridine-2-carboxylic acid
• Synonyms: 4-Piperidin-1-ylpyridine-2-carboxylic acid 97%

Database IDs

• MDL Number: MFCD06382852
• PubChem SID: 162077576
• PubChem CID: 270402

CALCULATED PROPERTIES

• Acid pKa: 2.1924217
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.07746371
• LogD (pH = 7.4): 0.061407287
• Log P: 0.076915644
• Molar Refractivity: 57.3559 cm^3
• Polarizability: 21.393196 Å^3
• Polar Surface Area: 53.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true