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

C₂₁H₃₅NO₃Si — CID 155631988

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 Name: 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-phenylmethoxyethyl)piperidin-2-one
• PubChem CID: 155631988
• Molecular Formula: C₂₁H₃₅NO₃Si
• Molecular Weight: 377.60 g/mol
• Exact Mass: 377.24
• IUPAC Name: 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-phenylmethoxyethyl)piperidin-2-one
• SMILES: CC(C)(C)[Si](C)(C)OCC1CCN(CCOCc2ccccc2)C(=O)C1
• InChI: 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
• InChIKey: LBHATCQLGSMORP-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.60
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

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).

Sources

• PubChem CID 155631988 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.