1-benzyl-3-{[(tert-butyldimethylsilyl)oxy]methyl}piperidin-4-one

• ChemBase ID: 90567
• Molecular Formular: C19H31NO2Si
• Molecular Mass: 333.54044
• Monoisotopic Mass: 333.21240577
• SMILES: N1(Cc2ccccc2)CCC(=O)C(C1)CO[Si](C(C)(C)C)(C)C
• Canonical SMILES: O=C1CCN(CC1CO[Si](C(C)(C)C)(C)C)Cc1ccccc1
• InChI: InChI=1S/C19H31NO2Si/c1-19(2,3)23(4,5)22-15-17-14-20(12-11-18(17)21)13-16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3
• InChIKey: WOYQEVXRQBRUAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-3-{[(tert-butyldimethylsilyl)oxy]methyl}piperidin-4-one
• IUPAC Traditional name: 1-benzyl-3-{[(tert-butyldimethylsilyl)oxy]methyl}piperidin-4-one
• Synonyms: N-Benzy 3-(tert-butyldimethylsilanyloxymethyl)piperid-4-one; 1-Benzyl-3-{[(tert-butyldimethylsilyl)oxy]methyl}-4-oxopiperidine,[(1-Benzyl-4-oxopiperidin-3-yl)methoxy]tert-butyldimethylsilane; 1-Benzyl-3-({[(tert-butyl)dimethylsilyl]oxy}methyl)piperidin-4-one 95%

Database IDs

• CAS Number: 325486-37-1
• MDL Number: MFCD09065031
• PubChem SID: 162077364
• PubChem CID: 22495722

CALCULATED PROPERTIES

• Acid pKa: 17.23175
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3979049
• LogD (pH = 7.4): 4.188531
• Log P: 4.2182
• Molar Refractivity: 93.2734 cm^3
• Polarizability: 38.768288 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Toxic

Product Information

• Purity: 95%