1-cyclooctylpiperidin-3-one

• ChemBase ID: 806811
• Molecular Formular: C13H23NO
• Molecular Mass: 209.32782
• Monoisotopic Mass: 209.17796436
• SMILES: C1CCN(CC1=O)C1CCCCCCC1
• Canonical SMILES: O=C1CCCN(C1)C1CCCCCCC1
• InChI: InChI=1S/C13H23NO/c15-13-9-6-10-14(11-13)12-7-4-2-1-3-5-8-12/h12H,1-11H2
• InChIKey: HVQYURLUFLGYLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclooctylpiperidin-3-one
• IUPAC Traditional name: 1-cyclooctylpiperidin-3-one
• Synonyms: 1-CYCLOOCTYL-PIPERIDIN-3-ONE

CALCULATED PROPERTIES

• Acid pKa: 18.5827
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0606188
• LogD (pH = 7.4): 2.6335888
• Log P: 2.9131892
• Molar Refractivity: 62.7353 cm^3
• Polarizability: 24.820526 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%