tert-butyl (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)piperidine-1-carboxylate

C18H35NO4Si — CID 10959261

IUPACtert-butyl (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@H]1CC=O
InChIInChI=1S/C18H35NO4Si/c1-17(2,3)22-16(21)19-13-15(10-9-14(19)11-12-20)23-24(7,8)18(4,5)6/h12,14-15H,9-11,13H2,1-8H3/t14-,15-/m0/s1
InChIKeyIXSFFEAJRRQKPJ-GJZGRUSLSA-N
MW357.57 g/mol
LogP4.37
Rot. Bonds4

About tert-butyl (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)piperidine-1-carboxylate

tert-butyl (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)piperidine-1-carboxylate (PubChem CID 10959261) has the molecular formula C18H35NO4Si and a molecular weight of 357.57 g/mol. Its IUPAC name is tert-butyl (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)piperidine-1-carboxylate
PubChem CID10959261
Molecular FormulaC18H35NO4Si
Molecular Weight357.57 g/mol
Exact Mass357.23
IUPAC Nametert-butyl (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@H]1CC=O
InChIInChI=1S/C18H35NO4Si/c1-17(2,3)22-16(21)19-13-15(10-9-14(19)11-12-20)23-24(7,8)18(4,5)6/h12,14-15H,9-11,13H2,1-8H3/t14-,15-/m0/s1
InChIKeyIXSFFEAJRRQKPJ-GJZGRUSLSA-N
XLogP4.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.57
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,5R,6S)-N-(t-Butyloxycarbonyl)-6-methyl-5-(triisopropylsiloxy)piperidine-2-carboxaldehyde
CID 132427756
(2R,4R)-N-tert-butoxycarbonyl-4-tert-butyldimethylsiloxy-2-(2-formylethyl)pyrrolidine
CID 10498568
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate
CID 57095579
1-O-tert-butyl 2-O-methyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1,2-dicarboxylate
CID 59754332
tert-Butyl (2S,3S)-3-((tert-butyldimethylsilyl)oxy)-2-formylpiperidine-1-carboxylate
CID 59754350
tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate
CID 66733912
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate
CID 66733969
isopropyl 7-[(4R)-4-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2-oxo-1,3-oxazinan-3-yl]heptanoate
CID 67318482
(+/-)-(2S,3R)-1-tert-Butoxycarbonyl-3-(tert-butyldimethylsilanyloxy)pipecolic acid methyl ester
CID 68458695
tert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-formyl-piperidine-1-carboxylate
CID 72553166
Propan-2-yl 7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazinan-3-yl]heptanoate
CID 77265685
Tert-butyl 5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)piperidine-1-carboxylate
CID 85346163

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)piperidine-1-carboxylate (CID 10959261) is tert-butyl (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@H]1CC=O.
What is the InChIKey of tert-butyl (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)piperidine-1-carboxylate?
The InChIKey is IXSFFEAJRRQKPJ-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H35NO4Si/c1-17(2,3)22-16(21)19-13-15(10-9-14(19)11-12-20)23-24(7,8)18(4,5)6/h12,14-15H,9-11,13H2,1-8H3/t14-,15-/m0/s1.
What are the key properties of tert-butyl (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)piperidine-1-carboxylate?
tert-butyl (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)piperidine-1-carboxylate has a molecular weight of 357.57 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)piperidine-1-carboxylate is sourced from PubChem (CID 10959261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).