3-(piperidine-3-carbonyl)pyridine

• ChemBase ID: 306874
• Molecular Formular: C11H14N2O
• Molecular Mass: 190.24166
• Monoisotopic Mass: 190.11061308
• SMILES: C(=O)(c1cnccc1)C1CNCCC1
• Canonical SMILES: O=C(c1cccnc1)C1CCCNC1
• InChI: InChI=1S/C11H14N2O/c14-11(9-3-1-5-12-7-9)10-4-2-6-13-8-10/h1,3,5,7,10,13H,2,4,6,8H2
• InChIKey: JTRISJKXTFMCDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperidine-3-carbonyl)pyridine
• IUPAC Traditional name: 3-(piperidine-3-carbonyl)pyridine
• Synonyms: piperidin-3-yl(pyridin-3-yl)methanone

Database IDs

• CAS Number: 1221278-60-9
• MDL Number: MFCD09864252

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5883684
• LogD (pH = 7.4): -1.4017093
• Log P: 0.5727063
• Molar Refractivity: 54.5815 cm^3
• Polarizability: 21.328432 Å^3
• Polar Surface Area: 41.99 Å^2