triethoxy-[3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane

C22H50N2O3Si2 — CID 23150171

IUPACtriethoxy-[3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane
SMILESCCO[Si](CCCN1CCN([Si](C(C)C)(C(C)C)C(C)C)CC1)(OCC)OCC
InChIInChI=1S/C22H50N2O3Si2/c1-10-25-28(26-11-2,27-12-3)19-13-14-23-15-17-24(18-16-23)29(20(4)5,21(6)7)22(8)9/h20-22H,10-19H2,1-9H3
InChIKeyAAFZQGCKZFWXLB-UHFFFAOYSA-N
MW446.83 g/mol
LogP5.22
Rot. Bonds14

About triethoxy-[3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane

triethoxy-[3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane (PubChem CID 23150171) has the molecular formula C22H50N2O3Si2 and a molecular weight of 446.83 g/mol. Its IUPAC name is triethoxy-[3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane
PubChem CID23150171
Molecular FormulaC22H50N2O3Si2
Molecular Weight446.83 g/mol
Exact Mass446.34
IUPAC Nametriethoxy-[3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane
SMILESCCO[Si](CCCN1CCN([Si](C(C)C)(C(C)C)C(C)C)CC1)(OCC)OCC
InChIInChI=1S/C22H50N2O3Si2/c1-10-25-28(26-11-2,27-12-3)19-13-14-23-15-17-24(18-16-23)29(20(4)5,21(6)7)22(8)9/h20-22H,10-19H2,1-9H3
InChIKeyAAFZQGCKZFWXLB-UHFFFAOYSA-N
XLogP5.22
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.83
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

diethoxy-methyl-[2-[4-tri(propan-2-yl)silylpiperazin-1-yl]ethyl]silane
CID 23150092
[4-(4-dipropoxysilylbutyl)piperazin-1-yl]-tri(propan-2-yl)silane
CID 123388378
3-(3,5-dipropyl-1,3,5-triazinan-1-yl)propyl-triethoxysilane
CID 153419971
3-(3-ethenylimidazolidin-1-yl)propyl-triethoxysilane
CID 123281277
diethoxy-methyl-[2-methyl-3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane
CID 23150069
3-(2,4-dihydroimidazol-3-yl)propyl-triethoxysilane
CID 2760691
trimethoxy-[3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propyl]silane
CID 178023107
trimethoxy-[2-methyl-3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane
CID 23150084
triethoxy-[3-[3-[3-(oxiran-2-ylmethoxy)propyl]imidazolidin-1-yl]propyl]silane
CID 140960756
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
trimethoxy(3-piperazin-1-ylpropyl)silane
CID 12841680
11-(4,7-dimethyl-1,4,7-triazonan-1-yl)undecyl-trimethoxysilane
CID 102100554

Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane?
The IUPAC name of triethoxy-[3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane (CID 23150171) is triethoxy-[3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane.
What is the SMILES notation for triethoxy-[3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane?
The canonical SMILES for triethoxy-[3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane is CCO[Si](CCCN1CCN([Si](C(C)C)(C(C)C)C(C)C)CC1)(OCC)OCC.
What is the InChIKey of triethoxy-[3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane?
The InChIKey is AAFZQGCKZFWXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H50N2O3Si2/c1-10-25-28(26-11-2,27-12-3)19-13-14-23-15-17-24(18-16-23)29(20(4)5,21(6)7)22(8)9/h20-22H,10-19H2,1-9H3.
What are the key properties of triethoxy-[3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane?
triethoxy-[3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane has a molecular weight of 446.83 g/mol, XLogP of 5.22, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane is sourced from PubChem (CID 23150171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).