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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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).