2-[4-(3-bromopropyl)piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane

C25H37BrN2OSi — CID 53423592

IUPAC2-[4-(3-bromopropyl)piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCN1CCN(CCCBr)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H37BrN2OSi/c1-25(2,3)30(23-11-6-4-7-12-23,24-13-8-5-9-14-24)29-22-21-28-19-17-27(18-20-28)16-10-15-26/h4-9,11-14H,10,15-22H2,1-3H3
InChIKeyWKSPEURDHKILJW-UHFFFAOYSA-N
MW489.57 g/mol
LogP3.97
Rot. Bonds9

About 2-[4-(3-bromopropyl)piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane

2-[4-(3-bromopropyl)piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane (PubChem CID 53423592) has the molecular formula C25H37BrN2OSi and a molecular weight of 489.57 g/mol. Its IUPAC name is 2-[4-(3-bromopropyl)piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name2-[4-(3-bromopropyl)piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane
PubChem CID53423592
Molecular FormulaC25H37BrN2OSi
Molecular Weight489.57 g/mol
Exact Mass488.19
IUPAC Name2-[4-(3-bromopropyl)piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCN1CCN(CCCBr)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H37BrN2OSi/c1-25(2,3)30(23-11-6-4-7-12-23,24-13-8-5-9-14-24)29-22-21-28-19-17-27(18-20-28)16-10-15-26/h4-9,11-14H,10,15-22H2,1-3H3
InChIKeyWKSPEURDHKILJW-UHFFFAOYSA-N
XLogP3.97
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.57
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
2-[4-[2-(4-bromo-2-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane
CID 91800460
[(3S)-6-bromo-3-(2-bromoethyl)hexoxy]-tert-butyl-diphenylsilane
CID 154420849
4-[[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazin-1-yl]methyl]-3-(trifluoromethyl)aniline
CID 165404222
[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
CID 15282997
tert-butyl-(2-nitroethoxy)-diphenylsilane
CID 14974754
CID 6331752
CID 6331752
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
2-[2-(2-bromoethoxy)ethyl]-6-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 10676150
tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane
CID 54264356

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromopropyl)piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane?
The IUPAC name of 2-[4-(3-bromopropyl)piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane (CID 53423592) is 2-[4-(3-bromopropyl)piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 2-[4-(3-bromopropyl)piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 2-[4-(3-bromopropyl)piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCCN1CCN(CCCBr)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[4-(3-bromopropyl)piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane?
The InChIKey is WKSPEURDHKILJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37BrN2OSi/c1-25(2,3)30(23-11-6-4-7-12-23,24-13-8-5-9-14-24)29-22-21-28-19-17-27(18-20-28)16-10-15-26/h4-9,11-14H,10,15-22H2,1-3H3.
What are the key properties of 2-[4-(3-bromopropyl)piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane?
2-[4-(3-bromopropyl)piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane has a molecular weight of 489.57 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromopropyl)piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 53423592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).