1-(trimethylsilyl)piperidin-2-one

• ChemBase ID: 179258
• Molecular Formular: C8H17NOSi
• Molecular Mass: 171.31218
• Monoisotopic Mass: 171.1079407
• SMILES: C1CCCN(C1=O)[Si](C)(C)C
• Canonical SMILES: O=C1CCCCN1[Si](C)(C)C
• InChI: InChI=1S/C8H17NOSi/c1-11(2,3)9-7-5-4-6-8(9)10/h4-7H2,1-3H3
• InChIKey: PMQNJTKTWDVUNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(trimethylsilyl)piperidin-2-one
• IUPAC Traditional name: 1-(trimethylsilyl)piperidin-2-one
• Synonyms: N-Trimethylsilyl-2-piperidinone; 1-(Trimethylsilyl)-2-piperidinone; Trimethylsilyl Valerolactam

Database IDs

• CAS Number: 3553-93-3
• PubChem SID: 164235168
• PubChem CID: 5171660

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4570968
• LogD (pH = 7.4): 1.4570999
• Log P: 1.4571
• Molar Refractivity: 43.3992 cm^3
• Polarizability: 18.87908 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Clear Colourless Liquid

Safety Information

• Storage Condition: Refrigerator