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

C28H39NO5Si — CID 170939019

IUPAC1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate
SMILESCOC(=O)C1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C28H39NO5Si/c1-27(2,3)33-26(31)29-19-18-21(20-24(29)25(30)32-7)34-35(28(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,21,24H,18-20H2,1-7H3
InChIKeyVQHMFOPNYJFDBI-UHFFFAOYSA-N
MW497.71 g/mol
LogP4.50
Rot. Bonds5

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

1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate (PubChem CID 170939019) has the molecular formula C28H39NO5Si and a molecular weight of 497.71 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate
PubChem CID170939019
Molecular FormulaC28H39NO5Si
Molecular Weight497.71 g/mol
Exact Mass497.26
IUPAC Name1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate
SMILESCOC(=O)C1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C28H39NO5Si/c1-27(2,3)33-26(31)29-19-18-21(20-24(29)25(30)32-7)34-35(28(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,21,24H,18-20H2,1-7H3
InChIKeyVQHMFOPNYJFDBI-UHFFFAOYSA-N
XLogP4.50
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.71
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (2R,3S,5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-5-propylpiperidine-1,2-dicarboxylate
CID 11591931
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)piperidine-1-carboxylate
CID 134835662
Methyl 7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate
CID 135070431
tert-butyl (1S,2S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-oxo-3-oxa-6-azabicyclo[3.1.0]hexane-6-carboxylate
CID 11784610
tert-butyl (1S,2S,5R)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]-4-oxo-3-oxa-6-azabicyclo[3.1.0]hexane-6-carboxylate
CID 25227710
1-(tert-Butyl) 2-methyl (2S,4R)-4-((tert-butyldiphenylsilyl)oxy)pyrrolidine-1,2-dicarboxylate
CID 11340673
tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxopiperidine-1-carboxylate
CID 11730345
Boc-D-aMeaHyp(TBDPS)-OMe
CID 15863905
Boc-aMeHyp(TBDPS)-OMe
CID 15863906
(2S,3R)-3-(tert-butyldiphenylsilanoxy)pyrrolidine-1,2-dicarboxylic Acid 1-tert-butyl Ester 2-methyl Ester
CID 57974634
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]butanoate
CID 59316142
tert-butyl (2S)-2-[[3-[tert-butyl(diphenyl)silyl]oxycyclohexanecarbonyl]-methylamino]-3-methylbutanoate
CID 59701356

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate (CID 170939019) is 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate is COC(=O)C1CC(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]oxypiperidine-1,2-dicarboxylate?
The InChIKey is VQHMFOPNYJFDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39NO5Si/c1-27(2,3)33-26(31)29-19-18-21(20-24(29)25(30)32-7)34-35(28(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,21,24H,18-20H2,1-7H3.
What are the key properties of 1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate has a molecular weight of 497.71 g/mol, XLogP of 4.50, 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]oxypiperidine-1,2-dicarboxylate is sourced from PubChem (CID 170939019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).