tert-butyl 4-[2-[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutoxy]sulfonylethyl]piperazine-1-carboxylate

C33H52N2O6SSi — CID 15946512

IUPACtert-butyl 4-[2-[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutoxy]sulfonylethyl]piperazine-1-carboxylate
SMILESCC(C)(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)COS(=O)(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C33H52N2O6SSi/c1-31(2,3)41-30(36)35-22-20-34(21-23-35)24-26-42(37,38)39-27-33(7,8)19-25-40-43(32(4,5)6,28-15-11-9-12-16-28)29-17-13-10-14-18-29/h9-18H,19-27H2,1-8H3
InChIKeyGMAFPNDNYIWPPR-UHFFFAOYSA-N
MW632.94 g/mol
LogP4.88
Rot. Bonds12

About tert-butyl 4-[2-[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutoxy]sulfonylethyl]piperazine-1-carboxylate

tert-butyl 4-[2-[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutoxy]sulfonylethyl]piperazine-1-carboxylate (PubChem CID 15946512) has the molecular formula C33H52N2O6SSi and a molecular weight of 632.94 g/mol. Its IUPAC name is tert-butyl 4-[2-[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutoxy]sulfonylethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutoxy]sulfonylethyl]piperazine-1-carboxylate
PubChem CID15946512
Molecular FormulaC33H52N2O6SSi
Molecular Weight632.94 g/mol
Exact Mass632.33
IUPAC Nametert-butyl 4-[2-[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutoxy]sulfonylethyl]piperazine-1-carboxylate
SMILESCC(C)(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)COS(=O)(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C33H52N2O6SSi/c1-31(2,3)41-30(36)35-22-20-34(21-23-35)24-26-42(37,38)39-27-33(7,8)19-25-40-43(32(4,5)6,28-15-11-9-12-16-28)29-17-13-10-14-18-29/h9-18H,19-27H2,1-8H3
InChIKeyGMAFPNDNYIWPPR-UHFFFAOYSA-N
XLogP4.88
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.94
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze tert-butyl 4-[2-[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutoxy]sulfonylethyl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutyl] 2-morpholin-4-ylethanesulfonate
CID 15946583
tert-butyl 4-[3-[tert-butyl(diphenyl)silyl]oxypropanoyl]-3-(hydroxymethyl)piperazine-1-carboxylate
CID 171779093
[tert-butyl-[2-[2-[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutoxy]sulfonylethoxy]ethyl]amino] propanoate
CID 175063070
tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 156837021
tert-butyl 4-(2-methylsulfonylethyl)piperazine-1-carboxylate
CID 66649624
tert-butyl 2-[(3S,5S)-3-amino-5-[2-[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutoxy]sulfonylethoxymethyl]-2-oxopyrrolidin-1-yl]acetate;tert-butyl 2-[(3S,5S)-5-[2-[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutoxy]sulfonylethoxymethyl]-3-(dibenzylamino)-2-oxopyrrolidin-1-yl]acetate
CID 165070177
tert-butyl 4-benzylpiperazine-1-carboxylate;methanol
CID 143725332
2-[4-(3-bromopropyl)piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane
CID 53423592
tert-butyl 4-[2-(4-sulfamoylphenoxy)ethyl]piperazine-1-carboxylate
CID 46594465
tert-butyl 4-(4-phenylbut-3-enyl)piperazine-1-carboxylate
CID 77144706
tert-butyl 4-(3-anilino-3-oxopropyl)piperazine-1-carboxylate
CID 52579913
6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexane-2-sulfonic acid
CID 150514614

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutoxy]sulfonylethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutoxy]sulfonylethyl]piperazine-1-carboxylate (CID 15946512) is tert-butyl 4-[2-[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutoxy]sulfonylethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutoxy]sulfonylethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutoxy]sulfonylethyl]piperazine-1-carboxylate is CC(C)(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)COS(=O)(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutoxy]sulfonylethyl]piperazine-1-carboxylate?
The InChIKey is GMAFPNDNYIWPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H52N2O6SSi/c1-31(2,3)41-30(36)35-22-20-34(21-23-35)24-26-42(37,38)39-27-33(7,8)19-25-40-43(32(4,5)6,28-15-11-9-12-16-28)29-17-13-10-14-18-29/h9-18H,19-27H2,1-8H3.
What are the key properties of tert-butyl 4-[2-[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutoxy]sulfonylethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutoxy]sulfonylethyl]piperazine-1-carboxylate has a molecular weight of 632.94 g/mol, XLogP of 4.88, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutoxy]sulfonylethyl]piperazine-1-carboxylate is sourced from PubChem (CID 15946512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).