CAS 325486-37-1|1-benzyl-3-{[(tert-butyldimethylsilyl)oxy]methyl}piperidin-4-one|1-Benzyl-3-({[(tert-butyl)dimethylsilyl]oxy}methyl)piperidin-4-one 95%|1-benzyl-3-{[(tert-butyldimethylsilyl)oxy]meth...

General Information

Structure

Molecular Formula

C₁₉H₃₁NO₂Si

Molecular Mass

333.54044

Exact Mass

333.21240577

Charge

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

Canonic Smiles

O=C1CCN(CC1CO[Si](C(C)(C)C)(C)C)Cc1ccccc1

Isomeric Smiles

N1(Cc2ccccc2)CCC(=O)C(C1)CO[Si](C(C)(C)C)(C)C

Calculated Properties

JChem

Acid pKa

17.23175

H Acceptors

H Donor

LogD (pH = 5.5)

3.3979049

LogD (pH = 7.4)

4.188531

Log P

4.2182

Molar Refractivity

93.2734

Polarizability

38.768288

Polar Surface Area

29.54

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

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

Synonyms

1-Benzyl-3-({[(tert-butyl)dimethylsilyl]oxy}methyl)piperidin-4-one 95%1-Benzyl-3-{[(tert-butyldimethylsilyl)oxy]methyl}-4-oxopiperidine,[(1-Benzyl-4-oxopiperidin-3-yl)methoxy]tert-butyldimethylsilaneN-Benzy 3-(tert-butyldimethylsilanyloxymethyl)piperid-4-one

IUPAC Traditional name

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

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID