tert-butyl (2S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-(5-dimethoxyphosphoryl-4-oxopentyl)piperidine-1-carboxylate

C25H50NO7PSi — CID 134949806

IUPACtert-butyl (2S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-(5-dimethoxyphosphoryl-4-oxopentyl)piperidine-1-carboxylate
SMILESCOP(=O)(CC(=O)CCC[C@@H]1CCC[C@@H](CCO[Si](C)(C)C(C)(C)C)N1C(=O)OC(C)(C)C)OC
InChIInChI=1S/C25H50NO7PSi/c1-24(2,3)33-23(28)26-20(15-12-16-22(27)19-34(29,30-7)31-8)13-11-14-21(26)17-18-32-35(9,10)25(4,5)6/h20-21H,11-19H2,1-10H3/t20-,21-/m0/s1
InChIKeyGQYQQKCGJZPCOW-SFTDATJTSA-N
MW535.74 g/mol
LogP6.78
Rot. Bonds12

About tert-butyl (2S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-(5-dimethoxyphosphoryl-4-oxopentyl)piperidine-1-carboxylate

tert-butyl (2S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-(5-dimethoxyphosphoryl-4-oxopentyl)piperidine-1-carboxylate (PubChem CID 134949806) has the molecular formula C25H50NO7PSi and a molecular weight of 535.74 g/mol. Its IUPAC name is tert-butyl (2S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-(5-dimethoxyphosphoryl-4-oxopentyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-(5-dimethoxyphosphoryl-4-oxopentyl)piperidine-1-carboxylate
PubChem CID134949806
Molecular FormulaC25H50NO7PSi
Molecular Weight535.74 g/mol
Exact Mass535.31
IUPAC Nametert-butyl (2S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-(5-dimethoxyphosphoryl-4-oxopentyl)piperidine-1-carboxylate
SMILESCOP(=O)(CC(=O)CCC[C@@H]1CCC[C@@H](CCO[Si](C)(C)C(C)(C)C)N1C(=O)OC(C)(C)C)OC
InChIInChI=1S/C25H50NO7PSi/c1-24(2,3)33-23(28)26-20(15-12-16-22(27)19-34(29,30-7)31-8)13-11-14-21(26)17-18-32-35(9,10)25(4,5)6/h20-21H,11-19H2,1-10H3/t20-,21-/m0/s1
InChIKeyGQYQQKCGJZPCOW-SFTDATJTSA-N
XLogP6.78
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.74
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolidine-1-carboxylate
CID 162403149
tert-butyl (2R,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxypiperidine-1-carboxylate
CID 11845978
tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxypiperidine-1-carboxylate
CID 11845979
tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[3-(cyclopenten-1-yl)propyl]pyrrolidine-1-carboxylate
CID 122400427
tert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazine-1-carboxylate
CID 67773623
tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylate
CID 67633255
dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate
CID 10002054
tert-butyl 2-ethoxy-6-(4-oxobutyl)piperidine-1-carboxylate
CID 11087869
tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyanopyrrolidine-1-carboxylate
CID 132515167
tert-butyl (6S)-2-methyl-6-(4-methylpentyl)piperidine-1-carboxylate
CID 70015662
tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate
CID 10900787
1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate
CID 59679477

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-(5-dimethoxyphosphoryl-4-oxopentyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-(5-dimethoxyphosphoryl-4-oxopentyl)piperidine-1-carboxylate (CID 134949806) is tert-butyl (2S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-(5-dimethoxyphosphoryl-4-oxopentyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-(5-dimethoxyphosphoryl-4-oxopentyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-(5-dimethoxyphosphoryl-4-oxopentyl)piperidine-1-carboxylate is COP(=O)(CC(=O)CCC[C@@H]1CCC[C@@H](CCO[Si](C)(C)C(C)(C)C)N1C(=O)OC(C)(C)C)OC.
What is the InChIKey of tert-butyl (2S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-(5-dimethoxyphosphoryl-4-oxopentyl)piperidine-1-carboxylate?
The InChIKey is GQYQQKCGJZPCOW-SFTDATJTSA-N. The full InChI is InChI=1S/C25H50NO7PSi/c1-24(2,3)33-23(28)26-20(15-12-16-22(27)19-34(29,30-7)31-8)13-11-14-21(26)17-18-32-35(9,10)25(4,5)6/h20-21H,11-19H2,1-10H3/t20-,21-/m0/s1.
What are the key properties of tert-butyl (2S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-(5-dimethoxyphosphoryl-4-oxopentyl)piperidine-1-carboxylate?
tert-butyl (2S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-(5-dimethoxyphosphoryl-4-oxopentyl)piperidine-1-carboxylate has a molecular weight of 535.74 g/mol, XLogP of 6.78, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-(5-dimethoxyphosphoryl-4-oxopentyl)piperidine-1-carboxylate is sourced from PubChem (CID 134949806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).