4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-phenylmethoxyethyl)piperidin-2-one

C21H35NO3Si — CID 155631988

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-phenylmethoxyethyl)piperidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC1CCN(CCOCc2ccccc2)C(=O)C1
InChIInChI=1S/C21H35NO3Si/c1-21(2,3)26(4,5)25-17-19-11-12-22(20(23)15-19)13-14-24-16-18-9-7-6-8-10-18/h6-10,19H,11-17H2,1-5H3
InChIKeyLBHATCQLGSMORP-UHFFFAOYSA-N
MW377.60 g/mol
LogP4.46
Rot. Bonds8

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-phenylmethoxyethyl)piperidin-2-one

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-phenylmethoxyethyl)piperidin-2-one (PubChem CID 155631988) has the molecular formula C21H35NO3Si and a molecular weight of 377.60 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-phenylmethoxyethyl)piperidin-2-one.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-phenylmethoxyethyl)piperidin-2-one
PubChem CID155631988
Molecular FormulaC21H35NO3Si
Molecular Weight377.60 g/mol
Exact Mass377.24
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-phenylmethoxyethyl)piperidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC1CCN(CCOCc2ccccc2)C(=O)C1
InChIInChI=1S/C21H35NO3Si/c1-21(2,3)26(4,5)25-17-19-11-12-22(20(23)15-19)13-14-24-16-18-9-7-6-8-10-18/h6-10,19H,11-17H2,1-5H3
InChIKeyLBHATCQLGSMORP-UHFFFAOYSA-N
XLogP4.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.60
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]-1-(2-phenylmethoxyethyl)piperidin-2-one?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-phenylmethoxyethyl)piperidin-2-one (CID 155631988) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-phenylmethoxyethyl)piperidin-2-one.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-phenylmethoxyethyl)piperidin-2-one?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-phenylmethoxyethyl)piperidin-2-one is CC(C)(C)[Si](C)(C)OCC1CCN(CCOCc2ccccc2)C(=O)C1.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-phenylmethoxyethyl)piperidin-2-one?
The InChIKey is LBHATCQLGSMORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO3Si/c1-21(2,3)26(4,5)25-17-19-11-12-22(20(23)15-19)13-14-24-16-18-9-7-6-8-10-18/h6-10,19H,11-17H2,1-5H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-phenylmethoxyethyl)piperidin-2-one?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-phenylmethoxyethyl)piperidin-2-one has a molecular weight of 377.60 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-phenylmethoxyethyl)piperidin-2-one is sourced from PubChem (CID 155631988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).