tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate

C27H40N2O3Si — CID 140851836

IUPACtert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C27H40N2O3Si/c1-26(2,3)32-25(30)29-19-18-28-22(21-29)17-20-31-33(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,22,28H,17-21H2,1-6H3
InChIKeyIOEGNDKQHMIWNE-UHFFFAOYSA-N
MW468.71 g/mol
LogP4.16
Rot. Bonds6

About tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate

tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate (PubChem CID 140851836) has the molecular formula C27H40N2O3Si and a molecular weight of 468.71 g/mol. Its IUPAC name is tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate
PubChem CID140851836
Molecular FormulaC27H40N2O3Si
Molecular Weight468.71 g/mol
Exact Mass468.28
IUPAC Nametert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C27H40N2O3Si/c1-26(2,3)32-25(30)29-19-18-28-22(21-29)17-20-31-33(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,22,28H,17-21H2,1-6H3
InChIKeyIOEGNDKQHMIWNE-UHFFFAOYSA-N
XLogP4.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.71
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trans-4-amino-1-tert-butoxycarbonyl(2S)-(tert-butyldiphenylsilyloxy)methylpyrrolidine
CID 69332987
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
tert-butyl N-[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(2,2,2-trifluoroacetyl)amino]butyl]-N-propan-2-ylcarbamate
CID 58006786
Tert-butyl-(1-fluoro-3-piperazin-2-ylpropan-2-yl)oxy-diphenylsilane
CID 66728270
tert-butyl N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-3,3,3-trifluoropropyl]carbamate
CID 163278252
tert-butyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 163278540
tert-butyl N-[2-[3-[tert-butyl(diphenyl)silyl]oxypropyl-methylamino]-3,3,3-trifluoropropyl]carbamate
CID 163278767
CID 163279036
CID 163279036
Tert-butyl 4-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]piperazine-1-carboxylate
CID 167508469
Tert-butyl 4-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexyl]piperazine-1-carboxylate
CID 171811047
tert-butyl N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-fluorobutan-2-yl]carbamate
CID 172759932
[4-[Tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexyl] piperazine-1-carboxylate
CID 176050837

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate (CID 140851836) is tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNC(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate?
The InChIKey is IOEGNDKQHMIWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O3Si/c1-26(2,3)32-25(30)29-19-18-28-22(21-29)17-20-31-33(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,22,28H,17-21H2,1-6H3.
What are the key properties of tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate?
tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate has a molecular weight of 468.71 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate is sourced from PubChem (CID 140851836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).