methyl (2S,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)-2-methylpiperidine-1-carboxylate

C28H41NO5Si — CID 10649039

IUPACmethyl (2S,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)-2-methylpiperidine-1-carboxylate
SMILESCOCO[C@H]1CC[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC)[C@H]1C
InChIInChI=1S/C28H41NO5Si/c1-22-26(33-21-31-5)18-17-23(29(22)27(30)32-6)19-20-34-35(28(2,3)4,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-16,22-23,26H,17-21H2,1-6H3/t22-,23-,26-/m0/s1
InChIKeyCPCDLHQTJLKMBK-FXSPECFOSA-N
MW499.72 g/mol
LogP4.56
Rot. Bonds9

About methyl (2S,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)-2-methylpiperidine-1-carboxylate

methyl (2S,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)-2-methylpiperidine-1-carboxylate (PubChem CID 10649039) has the molecular formula C28H41NO5Si and a molecular weight of 499.72 g/mol. Its IUPAC name is methyl (2S,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)-2-methylpiperidine-1-carboxylate
PubChem CID10649039
Molecular FormulaC28H41NO5Si
Molecular Weight499.72 g/mol
Exact Mass499.28
IUPAC Namemethyl (2S,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)-2-methylpiperidine-1-carboxylate
SMILESCOCO[C@H]1CC[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC)[C@H]1C
InChIInChI=1S/C28H41NO5Si/c1-22-26(33-21-31-5)18-17-23(29(22)27(30)32-6)19-20-34-35(28(2,3)4,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-16,22-23,26H,17-21H2,1-6H3/t22-,23-,26-/m0/s1
InChIKeyCPCDLHQTJLKMBK-FXSPECFOSA-N
XLogP4.56
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.72
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (2S,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)-2-methylpiperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)heptadecan-2-yl]carbamate
CID 162646706
methyl (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-ynylpiperidine-1-carboxylate
CID 11812143
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)piperidine-1-carboxylate
CID 134835662
[(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
methyl (E)-3-[(2S,6R)-1-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-6-[(1R)-1-(2-methoxyethoxymethoxy)propyl]piperidin-2-yl]prop-2-enoate
CID 135025530
tert-butyl (2S,3R,4aS,5S,8aR)-5-[(5R)-5-[tert-butyl(diphenyl)silyl]oxyoctyl]-3-(methoxymethoxy)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate
CID 164667855
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate
CID 11431341
(2S)-tert-Butyl 2-((tert-butyldiphenylsilyloxy)methyl)-6-methoxypiperidine-1-carboxylate
CID 86700549
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxypiperidine-1-carboxylate
CID 89872566
tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate
CID 140918784
tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypiperidine-1-carboxylate
CID 168763153

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)-2-methylpiperidine-1-carboxylate?
The IUPAC name of methyl (2S,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)-2-methylpiperidine-1-carboxylate (CID 10649039) is methyl (2S,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for methyl (2S,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)-2-methylpiperidine-1-carboxylate?
The canonical SMILES for methyl (2S,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)-2-methylpiperidine-1-carboxylate is COCO[C@H]1CC[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC)[C@H]1C.
What is the InChIKey of methyl (2S,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)-2-methylpiperidine-1-carboxylate?
The InChIKey is CPCDLHQTJLKMBK-FXSPECFOSA-N. The full InChI is InChI=1S/C28H41NO5Si/c1-22-26(33-21-31-5)18-17-23(29(22)27(30)32-6)19-20-34-35(28(2,3)4,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-16,22-23,26H,17-21H2,1-6H3/t22-,23-,26-/m0/s1.
What are the key properties of methyl (2S,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)-2-methylpiperidine-1-carboxylate?
methyl (2S,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)-2-methylpiperidine-1-carboxylate has a molecular weight of 499.72 g/mol, XLogP of 4.56, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 10649039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).