trimethoxy-[3-(1-methylpiperazin-1-ium-1-yl)propyl]silane

C11H27N2O3Si+ — CID 19900973

IUPACtrimethoxy-[3-(1-methylpiperazin-1-ium-1-yl)propyl]silane
SMILESCO[Si](CCC[N+]1(C)CCNCC1)(OC)OC
InChIInChI=1S/C11H27N2O3Si/c1-13(9-6-12-7-10-13)8-5-11-17(14-2,15-3)16-4/h12H,5-11H2,1-4H3/q+1
InChIKeyWSSPRPMHIXRVDH-UHFFFAOYSA-N
MW263.43 g/mol
LogP0.30
Rot. Bonds7

About trimethoxy-[3-(1-methylpiperazin-1-ium-1-yl)propyl]silane

trimethoxy-[3-(1-methylpiperazin-1-ium-1-yl)propyl]silane (PubChem CID 19900973) has the molecular formula C11H27N2O3Si+ and a molecular weight of 263.43 g/mol. Its IUPAC name is trimethoxy-[3-(1-methylpiperazin-1-ium-1-yl)propyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-(1-methylpiperazin-1-ium-1-yl)propyl]silane
PubChem CID19900973
Molecular FormulaC11H27N2O3Si+
Molecular Weight263.43 g/mol
Exact Mass263.18
IUPAC Nametrimethoxy-[3-(1-methylpiperazin-1-ium-1-yl)propyl]silane
SMILESCO[Si](CCC[N+]1(C)CCNCC1)(OC)OC
InChIInChI=1S/C11H27N2O3Si/c1-13(9-6-12-7-10-13)8-5-11-17(14-2,15-3)16-4/h12H,5-11H2,1-4H3/q+1
InChIKeyWSSPRPMHIXRVDH-UHFFFAOYSA-N
XLogP0.30
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3-(1-methylpiperazin-1-ium-1-yl)propyl]silane?
The IUPAC name of trimethoxy-[3-(1-methylpiperazin-1-ium-1-yl)propyl]silane (CID 19900973) is trimethoxy-[3-(1-methylpiperazin-1-ium-1-yl)propyl]silane.
What is the SMILES notation for trimethoxy-[3-(1-methylpiperazin-1-ium-1-yl)propyl]silane?
The canonical SMILES for trimethoxy-[3-(1-methylpiperazin-1-ium-1-yl)propyl]silane is CO[Si](CCC[N+]1(C)CCNCC1)(OC)OC.
What is the InChIKey of trimethoxy-[3-(1-methylpiperazin-1-ium-1-yl)propyl]silane?
The InChIKey is WSSPRPMHIXRVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N2O3Si/c1-13(9-6-12-7-10-13)8-5-11-17(14-2,15-3)16-4/h12H,5-11H2,1-4H3/q+1.
What are the key properties of trimethoxy-[3-(1-methylpiperazin-1-ium-1-yl)propyl]silane?
trimethoxy-[3-(1-methylpiperazin-1-ium-1-yl)propyl]silane has a molecular weight of 263.43 g/mol, XLogP of 0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-(1-methylpiperazin-1-ium-1-yl)propyl]silane is sourced from PubChem (CID 19900973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).