ethoxy-methyl-(1-piperazin-1-ylethoxy)-propylsilane

C12H28N2O2Si — CID 175455488

IUPACethoxy-methyl-(1-piperazin-1-ylethoxy)-propylsilane
SMILESCCC[Si](C)(OCC)OC(C)N1CCNCC1
InChIInChI=1S/C12H28N2O2Si/c1-5-11-17(4,15-6-2)16-12(3)14-9-7-13-8-10-14/h12-13H,5-11H2,1-4H3
InChIKeyJHQKHMDLRBSEQS-UHFFFAOYSA-N
MW260.45 g/mol
LogP1.77
Rot. Bonds7

About ethoxy-methyl-(1-piperazin-1-ylethoxy)-propylsilane

ethoxy-methyl-(1-piperazin-1-ylethoxy)-propylsilane (PubChem CID 175455488) has the molecular formula C12H28N2O2Si and a molecular weight of 260.45 g/mol. Its IUPAC name is ethoxy-methyl-(1-piperazin-1-ylethoxy)-propylsilane.

Molecular Properties

Compound Nameethoxy-methyl-(1-piperazin-1-ylethoxy)-propylsilane
PubChem CID175455488
Molecular FormulaC12H28N2O2Si
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Nameethoxy-methyl-(1-piperazin-1-ylethoxy)-propylsilane
SMILESCCC[Si](C)(OCC)OC(C)N1CCNCC1
InChIInChI=1S/C12H28N2O2Si/c1-5-11-17(4,15-6-2)16-12(3)14-9-7-13-8-10-14/h12-13H,5-11H2,1-4H3
InChIKeyJHQKHMDLRBSEQS-UHFFFAOYSA-N
XLogP1.77
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 51.77
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

diethoxy-(1-piperazin-1-ylethoxy)-propylsilane
CID 175420887
ethoxy-methyl-(1-morpholin-2-ylethoxy)-propylsilane
CID 174627480
1-bromoethoxy-ethoxy-methyl-propylsilane
CID 175044219
ethoxy-dimethyl-(3-piperazin-1-ylpropyl)silane
CID 68897887
diethoxy-methyl-[2-[4-tri(propan-2-yl)silylpiperazin-1-yl]ethyl]silane
CID 23150092
ethoxy-(1-isocyanopropan-2-yloxy)-methyl-propylsilane
CID 159005238
1-propan-2-ylpiperazine;vanadium
CID 162375922
diethoxy(dimethyl)silane;piperazine
CID 174814266
triethoxy-(2-methyl-3-piperazin-1-ylpropyl)silane
CID 23150078
ethyl 3-methyl-2-piperazin-1-ylpentanoate
CID 61319359
2-(1-piperazin-1-ylethoxy)acetonitrile
CID 140993597
1-heptan-2-ylpiperazine
CID 61464712

Frequently Asked Questions

What is the IUPAC name of ethoxy-methyl-(1-piperazin-1-ylethoxy)-propylsilane?
The IUPAC name of ethoxy-methyl-(1-piperazin-1-ylethoxy)-propylsilane (CID 175455488) is ethoxy-methyl-(1-piperazin-1-ylethoxy)-propylsilane.
What is the SMILES notation for ethoxy-methyl-(1-piperazin-1-ylethoxy)-propylsilane?
The canonical SMILES for ethoxy-methyl-(1-piperazin-1-ylethoxy)-propylsilane is CCC[Si](C)(OCC)OC(C)N1CCNCC1.
What is the InChIKey of ethoxy-methyl-(1-piperazin-1-ylethoxy)-propylsilane?
The InChIKey is JHQKHMDLRBSEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2Si/c1-5-11-17(4,15-6-2)16-12(3)14-9-7-13-8-10-14/h12-13H,5-11H2,1-4H3.
What are the key properties of ethoxy-methyl-(1-piperazin-1-ylethoxy)-propylsilane?
ethoxy-methyl-(1-piperazin-1-ylethoxy)-propylsilane has a molecular weight of 260.45 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-methyl-(1-piperazin-1-ylethoxy)-propylsilane is sourced from PubChem (CID 175455488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).