1-(2-methoxyethyl)piperidin-4-one

• ChemBase ID: 258833
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: N1(CCC(=O)CC1)CCOC
• Canonical SMILES: COCCN1CCC(=O)CC1
• InChI: InChI=1S/C8H15NO2/c1-11-7-6-9-4-2-8(10)3-5-9/h2-7H2,1H3
• InChIKey: TZBGCFOBLIWBSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)piperidin-4-one
• IUPAC Traditional name: 1-(2-methoxyethyl)piperidin-4-one
• Synonyms: 1-(2-methoxyethyl)piperidin-4-one

Database IDs

• MDL Number: MFCD09950024
• PubChem SID: 164314743
• PubChem CID: 24710264

CALCULATED PROPERTIES

• Acid pKa: 18.044678
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.1197727
• LogD (pH = 7.4): 0.04327052
• Log P: 0.12615728
• Molar Refractivity: 43.507 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.147

Product Information

• Purity: 95%