methyl (2R,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(hydroxymethyl)-3-(methoxymethoxy)piperidine-1-carboxylate

C28H41NO6Si — CID 11005789

IUPACmethyl (2R,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(hydroxymethyl)-3-(methoxymethoxy)piperidine-1-carboxylate
SMILESCOCO[C@@H]1CC[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC)[C@@H]1CO
InChIInChI=1S/C28H41NO6Si/c1-28(2,3)36(23-12-8-6-9-13-23,24-14-10-7-11-15-24)35-19-18-22-16-17-26(34-21-32-4)25(20-30)29(22)27(31)33-5/h6-15,22,25-26,30H,16-21H2,1-5H3/t22-,25-,26-/m1/s1
InChIKeyFAXADICBNPIAIP-DNRSQYFGSA-N
MW515.72 g/mol
LogP3.53
Rot. Bonds10

About methyl (2R,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(hydroxymethyl)-3-(methoxymethoxy)piperidine-1-carboxylate

methyl (2R,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(hydroxymethyl)-3-(methoxymethoxy)piperidine-1-carboxylate (PubChem CID 11005789) has the molecular formula C28H41NO6Si and a molecular weight of 515.72 g/mol. Its IUPAC name is methyl (2R,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(hydroxymethyl)-3-(methoxymethoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(hydroxymethyl)-3-(methoxymethoxy)piperidine-1-carboxylate
PubChem CID11005789
Molecular FormulaC28H41NO6Si
Molecular Weight515.72 g/mol
Exact Mass515.27
IUPAC Namemethyl (2R,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(hydroxymethyl)-3-(methoxymethoxy)piperidine-1-carboxylate
SMILESCOCO[C@@H]1CC[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC)[C@@H]1CO
InChIInChI=1S/C28H41NO6Si/c1-28(2,3)36(23-12-8-6-9-13-23,24-14-10-7-11-15-24)35-19-18-22-16-17-26(34-21-32-4)25(20-30)29(22)27(31)33-5/h6-15,22,25-26,30H,16-21H2,1-5H3/t22-,25-,26-/m1/s1
InChIKeyFAXADICBNPIAIP-DNRSQYFGSA-N
XLogP3.53
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.72
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl (2R,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(hydroxymethyl)-3-(methoxymethoxy)piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypiperidine-1-carboxylate
CID 101467337
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)piperidine-1-carboxylate
CID 134835662
methyl (2S,3R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-6-(3-hydroxypropyl)-3-propylpiperidine-1-carboxylate
CID 134865127
[(2S,6R)-1-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-6-[(1R)-1-(2-methoxyethoxymethoxy)propyl]piperidin-2-yl]methyl acetate
CID 135025527
4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,6R)-2-(hydroxymethyl)-6-[(1R)-1-(2-methoxyethoxymethoxy)propyl]piperidin-1-yl]butan-1-one
CID 135025528
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate
CID 11431341
[(3S,4S,5R,6R)-1-butyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxypiperidin-3-yl] 2-methylpropyl carbonate
CID 57165871
(2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylic acid
CID 68915814
(2S)-tert-butyl 2-((tert-butyldiphenylsilyloxy)methyl)-6-hydroxypiperidine-1-carboxylate
CID 86700550
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxypiperidine-1-carboxylate
CID 89872579
tert-butyl (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylate
CID 91611041
tert-butyl (2S)-2-[(1R)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate
CID 166022730

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(hydroxymethyl)-3-(methoxymethoxy)piperidine-1-carboxylate?
The IUPAC name of methyl (2R,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(hydroxymethyl)-3-(methoxymethoxy)piperidine-1-carboxylate (CID 11005789) is methyl (2R,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(hydroxymethyl)-3-(methoxymethoxy)piperidine-1-carboxylate.
What is the SMILES notation for methyl (2R,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(hydroxymethyl)-3-(methoxymethoxy)piperidine-1-carboxylate?
The canonical SMILES for methyl (2R,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(hydroxymethyl)-3-(methoxymethoxy)piperidine-1-carboxylate is COCO[C@@H]1CC[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC)[C@@H]1CO.
What is the InChIKey of methyl (2R,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(hydroxymethyl)-3-(methoxymethoxy)piperidine-1-carboxylate?
The InChIKey is FAXADICBNPIAIP-DNRSQYFGSA-N. The full InChI is InChI=1S/C28H41NO6Si/c1-28(2,3)36(23-12-8-6-9-13-23,24-14-10-7-11-15-24)35-19-18-22-16-17-26(34-21-32-4)25(20-30)29(22)27(31)33-5/h6-15,22,25-26,30H,16-21H2,1-5H3/t22-,25-,26-/m1/s1.
What are the key properties of methyl (2R,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(hydroxymethyl)-3-(methoxymethoxy)piperidine-1-carboxylate?
methyl (2R,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(hydroxymethyl)-3-(methoxymethoxy)piperidine-1-carboxylate has a molecular weight of 515.72 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(hydroxymethyl)-3-(methoxymethoxy)piperidine-1-carboxylate is sourced from PubChem (CID 11005789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).