triethoxy-[3-[4-(4-methylpiperidin-1-yl)pyridin-1-ium-1-yl]propyl]silane chloride

C20H37ClN2O3Si — CID 15006772

IUPACtriethoxy-[3-[4-(4-methylpiperidin-1-yl)pyridin-1-ium-1-yl]propyl]silane chloride
SMILESCCO[Si](CCC[n+]1ccc(N2CCC(C)CC2)cc1)(OCC)OCC.[Cl-]
InChIInChI=1S/C20H37N2O3Si.ClH/c1-5-23-26(24-6-2,25-7-3)18-8-13-21-14-11-20(12-15-21)22-16-9-19(4)10-17-22;/h11-12,14-15,19H,5-10,13,16-18H2,1-4H3;1H/q+1;/p-1
InChIKeyVOVNSBDXYOPSMG-UHFFFAOYSA-M
MW417.07 g/mol
LogP0.65
Rot. Bonds11

About triethoxy-[3-[4-(4-methylpiperidin-1-yl)pyridin-1-ium-1-yl]propyl]silane chloride

triethoxy-[3-[4-(4-methylpiperidin-1-yl)pyridin-1-ium-1-yl]propyl]silane chloride (PubChem CID 15006772) has the molecular formula C20H37ClN2O3Si and a molecular weight of 417.07 g/mol. Its IUPAC name is triethoxy-[3-[4-(4-methylpiperidin-1-yl)pyridin-1-ium-1-yl]propyl]silane chloride.

Molecular Properties

Compound Nametriethoxy-[3-[4-(4-methylpiperidin-1-yl)pyridin-1-ium-1-yl]propyl]silane chloride
PubChem CID15006772
Molecular FormulaC20H37ClN2O3Si
Molecular Weight417.07 g/mol
Exact Mass416.23
IUPAC Nametriethoxy-[3-[4-(4-methylpiperidin-1-yl)pyridin-1-ium-1-yl]propyl]silane chloride
SMILESCCO[Si](CCC[n+]1ccc(N2CCC(C)CC2)cc1)(OCC)OCC.[Cl-]
InChIInChI=1S/C20H37N2O3Si.ClH/c1-5-23-26(24-6-2,25-7-3)18-8-13-21-14-11-20(12-15-21)22-16-9-19(4)10-17-22;/h11-12,14-15,19H,5-10,13,16-18H2,1-4H3;1H/q+1;/p-1
InChIKeyVOVNSBDXYOPSMG-UHFFFAOYSA-M
XLogP0.65
TPSA34.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.07
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-[4-(4-methylpiperidin-1-yl)pyridin-1-ium-1-yl]propyl]silane chloride?
The IUPAC name of triethoxy-[3-[4-(4-methylpiperidin-1-yl)pyridin-1-ium-1-yl]propyl]silane chloride (CID 15006772) is triethoxy-[3-[4-(4-methylpiperidin-1-yl)pyridin-1-ium-1-yl]propyl]silane chloride.
What is the SMILES notation for triethoxy-[3-[4-(4-methylpiperidin-1-yl)pyridin-1-ium-1-yl]propyl]silane chloride?
The canonical SMILES for triethoxy-[3-[4-(4-methylpiperidin-1-yl)pyridin-1-ium-1-yl]propyl]silane chloride is CCO[Si](CCC[n+]1ccc(N2CCC(C)CC2)cc1)(OCC)OCC.[Cl-].
What is the InChIKey of triethoxy-[3-[4-(4-methylpiperidin-1-yl)pyridin-1-ium-1-yl]propyl]silane chloride?
The InChIKey is VOVNSBDXYOPSMG-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H37N2O3Si.ClH/c1-5-23-26(24-6-2,25-7-3)18-8-13-21-14-11-20(12-15-21)22-16-9-19(4)10-17-22;/h11-12,14-15,19H,5-10,13,16-18H2,1-4H3;1H/q+1;/p-1.
What are the key properties of triethoxy-[3-[4-(4-methylpiperidin-1-yl)pyridin-1-ium-1-yl]propyl]silane chloride?
triethoxy-[3-[4-(4-methylpiperidin-1-yl)pyridin-1-ium-1-yl]propyl]silane chloride has a molecular weight of 417.07 g/mol, XLogP of 0.65, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-[4-(4-methylpiperidin-1-yl)pyridin-1-ium-1-yl]propyl]silane chloride is sourced from PubChem (CID 15006772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).