6-(piperidin-1-yl)pyridine-3-carbonitrile

• ChemBase ID: 798828
• Molecular Formular: C11H13N3
• Molecular Mass: 187.24102
• Monoisotopic Mass: 187.11094743
• SMILES: c1c(cnc(c1)N1CCCCC1)C#N
• Canonical SMILES: N#Cc1ccc(nc1)N1CCCCC1
• InChI: InChI=1S/C11H13N3/c12-8-10-4-5-11(13-9-10)14-6-2-1-3-7-14/h4-5,9H,1-3,6-7H2
• InChIKey: FOETXRQFXRLQGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(piperidin-1-yl)pyridine-3-carbonitrile
• IUPAC Traditional name: 6-(piperidin-1-yl)pyridine-3-carbonitrile
• Synonyms: 6-(piperidin-1-yl)nicotinonitrile

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1640706
• LogD (pH = 7.4): 2.1645312
• Log P: 2.1645372
• Molar Refractivity: 56.5068 cm^3
• Polarizability: 20.877533 Å^3
• Polar Surface Area: 39.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%