tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxypiperidine-1-carboxylate

C28H41NO4Si — CID 86700549

IUPACtert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxypiperidine-1-carboxylate
SMILESCOC1CCC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C28H41NO4Si/c1-27(2,3)33-26(30)29-22(15-14-20-25(29)31-7)21-32-34(28(4,5)6,23-16-10-8-11-17-23)24-18-12-9-13-19-24/h8-13,16-19,22,25H,14-15,20-21H2,1-7H3/t22-,25?/m0/s1
InChIKeyYGPSPBXZHFTFQB-XADRRFQNSA-N
MW483.73 g/mol
LogP5.33
Rot. Bonds6

About tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxypiperidine-1-carboxylate

tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxypiperidine-1-carboxylate (PubChem CID 86700549) has the molecular formula C28H41NO4Si and a molecular weight of 483.73 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxypiperidine-1-carboxylate
PubChem CID86700549
Molecular FormulaC28H41NO4Si
Molecular Weight483.73 g/mol
Exact Mass483.28
IUPAC Nametert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxypiperidine-1-carboxylate
SMILESCOC1CCC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C28H41NO4Si/c1-27(2,3)33-26(30)29-22(15-14-20-25(29)31-7)21-32-34(28(4,5)6,23-16-10-8-11-17-23)24-18-12-9-13-19-24/h8-13,16-19,22,25H,14-15,20-21H2,1-7H3/t22-,25?/m0/s1
InChIKeyYGPSPBXZHFTFQB-XADRRFQNSA-N
XLogP5.33
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.73
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(S)-tert-Butyl 2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxopyrrolidine-1-carboxylate
CID 11762195
tert-butyl (1R,3S,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 10863327
tert-Butyl (R)-2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxopyrrolidine-1-carboxylate
CID 11826537
(2R/S,5S)-1-(tert-Butoxycarbonyl)-5-(tert-butyldiphenylsilanyloxymethyl)-2-hydroxypyrrolidine
CID 44556602
(3r,5s)-t-Butyl 3-((t-butyldiphenylsilyl)oxy)-5-(hydroxymethyl)piperidine-1-carboxylate
CID 153639200
Tert-butyl 4-(2-{[tert-butyldiphenylsilyl]oxy}ethyl)-4-fluoro-1-piperidinecarboxylate
CID 21096977
tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethoxymethyl)pyrrolidine-1-carboxylate
CID 170521985
Tert-butyl 4-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexyl]piperazine-1-carboxylate
CID 171811047
tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluoroazepane-1-carboxylate
CID 172288285
Tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluoropiperidine-1-carboxylate
CID 177777799
(2R/S,5S)-1-(tert-Butoxycarbonyl)-5-(tert-butyldiphenylsilanyloxymethyl)-2-methoxypyrrolidine
CID 10885179
(2S,3R)-1-(tert-Butoxycarbonyl)-2-(tert-butyldiphenylsilanyloxymethyl)-3-vinylpyrrolidine
CID 23726637

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxypiperidine-1-carboxylate (CID 86700549) is tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxypiperidine-1-carboxylate is COC1CCC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxypiperidine-1-carboxylate?
The InChIKey is YGPSPBXZHFTFQB-XADRRFQNSA-N. The full InChI is InChI=1S/C28H41NO4Si/c1-27(2,3)33-26(30)29-22(15-14-20-25(29)31-7)21-32-34(28(4,5)6,23-16-10-8-11-17-23)24-18-12-9-13-19-24/h8-13,16-19,22,25H,14-15,20-21H2,1-7H3/t22-,25?/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxypiperidine-1-carboxylate?
tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxypiperidine-1-carboxylate has a molecular weight of 483.73 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 86700549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).