1-cyclooctylpiperidin-4-one

• ChemBase ID: 806812
• Molecular Formular: C13H23NO
• Molecular Mass: 209.32782
• Monoisotopic Mass: 209.17796436
• SMILES: C1(=O)CCN(CC1)C1CCCCCCC1
• Canonical SMILES: O=C1CCN(CC1)C1CCCCCCC1
• InChI: InChI=1S/C13H23NO/c15-13-8-10-14(11-9-13)12-6-4-2-1-3-5-7-12/h12H,1-11H2
• InChIKey: SZRIOULUSHMESZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclooctylpiperidin-4-one
• IUPAC Traditional name: 1-cyclooctylpiperidin-4-one
• Synonyms: 1-CYCLOOCTYL-PIPERIDIN-4-ONE

CALCULATED PROPERTIES

• Acid pKa: 17.763832
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.23912627
• LogD (pH = 7.4): 2.013177
• Log P: 2.8615406
• Molar Refractivity: 62.6797 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%