1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-methylpiperidine-1,2-dicarboxylate

C29H41NO5Si — CID 170938992

IUPAC1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-methylpiperidine-1,2-dicarboxylate
SMILESCOC(=O)C1(C)CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C29H41NO5Si/c1-27(2,3)34-26(32)30-20-19-22(21-29(30,7)25(31)33-8)35-36(28(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,22H,19-21H2,1-8H3
InChIKeyYKZHQACWJUIBHZ-UHFFFAOYSA-N
MW511.74 g/mol
LogP4.89
Rot. Bonds5

About 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-methylpiperidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-methylpiperidine-1,2-dicarboxylate (PubChem CID 170938992) has the molecular formula C29H41NO5Si and a molecular weight of 511.74 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-methylpiperidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-methylpiperidine-1,2-dicarboxylate
PubChem CID170938992
Molecular FormulaC29H41NO5Si
Molecular Weight511.74 g/mol
Exact Mass511.28
IUPAC Name1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-methylpiperidine-1,2-dicarboxylate
SMILESCOC(=O)C1(C)CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C29H41NO5Si/c1-27(2,3)34-26(32)30-20-19-22(21-29(30,7)25(31)33-8)35-36(28(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,22H,19-21H2,1-8H3
InChIKeyYKZHQACWJUIBHZ-UHFFFAOYSA-N
XLogP4.89
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.74
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-methylpiperidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-methylpiperidine-1,2-dicarboxylate (CID 170938992) is 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-methylpiperidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-methylpiperidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-methylpiperidine-1,2-dicarboxylate is COC(=O)C1(C)CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-methylpiperidine-1,2-dicarboxylate?
The InChIKey is YKZHQACWJUIBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41NO5Si/c1-27(2,3)34-26(32)30-20-19-22(21-29(30,7)25(31)33-8)35-36(28(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,22H,19-21H2,1-8H3.
What are the key properties of 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-methylpiperidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-methylpiperidine-1,2-dicarboxylate has a molecular weight of 511.74 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-methylpiperidine-1,2-dicarboxylate is sourced from PubChem (CID 170938992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).