4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one

C12H25NO2Si — CID 85377811

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC1CCNC(=O)C1
InChIInChI=1S/C12H25NO2Si/c1-12(2,3)16(4,5)15-9-10-6-7-13-11(14)8-10/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeySPSVOTGSXNOGKR-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.53
Rot. Bonds3

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one

4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one (PubChem CID 85377811) has the molecular formula C12H25NO2Si and a molecular weight of 243.42 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one
PubChem CID85377811
Molecular FormulaC12H25NO2Si
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC1CCNC(=O)C1
InChIInChI=1S/C12H25NO2Si/c1-12(2,3)16(4,5)15-9-10-6-7-13-11(14)8-10/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeySPSVOTGSXNOGKR-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.53
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 4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one (CID 85377811) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one is CC(C)(C)[Si](C)(C)OCC1CCNC(=O)C1.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one?
The InChIKey is SPSVOTGSXNOGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2Si/c1-12(2,3)16(4,5)15-9-10-6-7-13-11(14)8-10/h10H,6-9H2,1-5H3,(H,13,14).
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one has a molecular weight of 243.42 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one is sourced from PubChem (CID 85377811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).