6-butyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpiperidin-2-one

C16H33NO2Si — CID 67622098

IUPAC6-butyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpiperidin-2-one
SMILESCCCCC1CC(C)C(O[Si](C)(C)C(C)(C)C)C(=O)N1
InChIInChI=1S/C16H33NO2Si/c1-8-9-10-13-11-12(2)14(15(18)17-13)19-20(6,7)16(3,4)5/h12-14H,8-11H2,1-7H3,(H,17,18)
InChIKeyCOGOFGDZYDRLBM-UHFFFAOYSA-N
MW299.53 g/mol
LogP4.09
Rot. Bonds5

About 6-butyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpiperidin-2-one

6-butyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpiperidin-2-one (PubChem CID 67622098) has the molecular formula C16H33NO2Si and a molecular weight of 299.53 g/mol. Its IUPAC name is 6-butyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpiperidin-2-one.

Molecular Properties

Compound Name6-butyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpiperidin-2-one
PubChem CID67622098
Molecular FormulaC16H33NO2Si
Molecular Weight299.53 g/mol
Exact Mass299.23
IUPAC Name6-butyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpiperidin-2-one
SMILESCCCCC1CC(C)C(O[Si](C)(C)C(C)(C)C)C(=O)N1
InChIInChI=1S/C16H33NO2Si/c1-8-9-10-13-11-12(2)14(15(18)17-13)19-20(6,7)16(3,4)5/h12-14H,8-11H2,1-7H3,(H,17,18)
InChIKeyCOGOFGDZYDRLBM-UHFFFAOYSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-(6-butyl-4-methylpiperidin-3-yl)oxy-dimethylsilane
CID 154447813
(4S,5S,6aS)-3-butyl-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 11048429
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one
CID 101383304
(6R,10S,11S)-11-butyl-10-[tert-butyl(dimethyl)silyl]oxy-1-azaspiro[5.5]undecan-2-one
CID 132606609
tert-butyl-dimethyl-(3-tributylstannylcyclopent-2-en-1-yl)oxysilane
CID 15630112
(1R,4S,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-azabicyclo[2.2.1]heptan-3-one
CID 150106860
(3R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-propyloxan-2-one;bis((3R,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-propyloxan-2-one);bis((3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-propyloxan-2-one);(3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-propyloxan-2-one
CID 162184369
(1R,2S,8aS)-8a-butyl-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,8-tetrahydroindolizin-3-one
CID 11293962
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 53254254
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethyloxan-2-one
CID 58858618
(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6,7-dimethylbicyclo[3.2.1]octan-2-one
CID 102300600
(NE)-N-[(2R,3R)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]hydroxylamine
CID 25178808

Frequently Asked Questions

What is the IUPAC name of 6-butyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpiperidin-2-one?
The IUPAC name of 6-butyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpiperidin-2-one (CID 67622098) is 6-butyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpiperidin-2-one.
What is the SMILES notation for 6-butyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpiperidin-2-one?
The canonical SMILES for 6-butyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpiperidin-2-one is CCCCC1CC(C)C(O[Si](C)(C)C(C)(C)C)C(=O)N1.
What is the InChIKey of 6-butyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpiperidin-2-one?
The InChIKey is COGOFGDZYDRLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2Si/c1-8-9-10-13-11-12(2)14(15(18)17-13)19-20(6,7)16(3,4)5/h12-14H,8-11H2,1-7H3,(H,17,18).
What are the key properties of 6-butyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpiperidin-2-one?
6-butyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpiperidin-2-one has a molecular weight of 299.53 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpiperidin-2-one is sourced from PubChem (CID 67622098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).