2-[4-[2-(4-bromo-2-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane

C30H38BrClN2O2Si — CID 91800460

IUPAC2-[4-[2-(4-bromo-2-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCN1CCN(CCOc2ccc(Br)cc2Cl)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H38BrClN2O2Si/c1-30(2,3)37(26-10-6-4-7-11-26,27-12-8-5-9-13-27)36-23-21-34-18-16-33(17-19-34)20-22-35-29-15-14-25(31)24-28(29)32/h4-15,24H,16-23H2,1-3H3
InChIKeyXIRNDRCYEURHGL-UHFFFAOYSA-N
MW602.09 g/mol
LogP5.68
Rot. Bonds10

About 2-[4-[2-(4-bromo-2-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane

2-[4-[2-(4-bromo-2-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane (PubChem CID 91800460) has the molecular formula C30H38BrClN2O2Si and a molecular weight of 602.09 g/mol. Its IUPAC name is 2-[4-[2-(4-bromo-2-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name2-[4-[2-(4-bromo-2-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane
PubChem CID91800460
Molecular FormulaC30H38BrClN2O2Si
Molecular Weight602.09 g/mol
Exact Mass600.16
IUPAC Name2-[4-[2-(4-bromo-2-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCN1CCN(CCOc2ccc(Br)cc2Cl)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H38BrClN2O2Si/c1-30(2,3)37(26-10-6-4-7-11-26,27-12-8-5-9-13-27)36-23-21-34-18-16-33(17-19-34)20-22-35-29-15-14-25(31)24-28(29)32/h4-15,24H,16-23H2,1-3H3
InChIKeyXIRNDRCYEURHGL-UHFFFAOYSA-N
XLogP5.68
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.09
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-bromo-2-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane?
The IUPAC name of 2-[4-[2-(4-bromo-2-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane (CID 91800460) is 2-[4-[2-(4-bromo-2-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 2-[4-[2-(4-bromo-2-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 2-[4-[2-(4-bromo-2-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCCN1CCN(CCOc2ccc(Br)cc2Cl)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[4-[2-(4-bromo-2-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane?
The InChIKey is XIRNDRCYEURHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38BrClN2O2Si/c1-30(2,3)37(26-10-6-4-7-11-26,27-12-8-5-9-13-27)36-23-21-34-18-16-33(17-19-34)20-22-35-29-15-14-25(31)24-28(29)32/h4-15,24H,16-23H2,1-3H3.
What are the key properties of 2-[4-[2-(4-bromo-2-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane?
2-[4-[2-(4-bromo-2-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane has a molecular weight of 602.09 g/mol, XLogP of 5.68, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-bromo-2-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 91800460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).