1-cyclohexylpiperidin-3-one

• ChemBase ID: 806809
• Molecular Formular: C11H19NO
• Molecular Mass: 181.27466
• Monoisotopic Mass: 181.14666423
• SMILES: C1CCN(CC1=O)C1CCCCC1
• Canonical SMILES: O=C1CCCN(C1)C1CCCCC1
• InChI: InChI=1S/C11H19NO/c13-11-7-4-8-12(9-11)10-5-2-1-3-6-10/h10H,1-9H2
• InChIKey: VGOIOSRZHMQCQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexylpiperidin-3-one
• IUPAC Traditional name: 1-cyclohexylpiperidin-3-one
• Synonyms: 1-CYCLOHEXYL-PIPERIDIN-3-ONE

CALCULATED PROPERTIES

• Acid pKa: 18.590437
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.2834398
• LogD (pH = 7.4): 1.7956884
• Log P: 2.024052
• Molar Refractivity: 53.5333 cm^3
• Polarizability: 21.132408 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%