(6R)-6-ethylpiperidin-2-one

• ChemBase ID: 795743
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: C1C[C@H](NC(=O)C1)CC
• Canonical SMILES: CC[C@@H]1CCCC(=O)N1
• InChI: InChI=1S/C7H13NO/c1-2-6-4-3-5-7(9)8-6/h6H,2-5H2,1H3,(H,8,9)/t6-/m1/s1
• InChIKey: PAHMYIHLZQRVHU-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6R)-6-ethylpiperidin-2-one
• IUPAC Traditional name: (6R)-6-ethylpiperidin-2-one
• Synonyms: (R)-6-Ethylpiperidin-2-one

Database IDs

• CAS Number: 1018453-54-7

CALCULATED PROPERTIES

• Acid pKa: 14.948095
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.8040567
• LogD (pH = 7.4): 0.80405676
• Log P: 0.80405676
• Molar Refractivity: 35.8017 cm^3
• Polarizability: 14.103091 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%