trimethyl-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]silane

C16H28N2OSi — CID 3088550

IUPACtrimethyl-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]silane
SMILESCc1ccc(N2CCN(CCO[Si](C)(C)C)CC2)cc1
InChIInChI=1S/C16H28N2OSi/c1-15-5-7-16(8-6-15)18-11-9-17(10-12-18)13-14-19-20(2,3)4/h5-8H,9-14H2,1-4H3
InChIKeyWWWVSVNXURXXGH-UHFFFAOYSA-N
MW292.50 g/mol
LogP2.97
Rot. Bonds5

About trimethyl-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]silane

trimethyl-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]silane (PubChem CID 3088550) has the molecular formula C16H28N2OSi and a molecular weight of 292.50 g/mol. Its IUPAC name is trimethyl-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]silane.

Molecular Properties

Compound Nametrimethyl-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]silane
PubChem CID3088550
Molecular FormulaC16H28N2OSi
Molecular Weight292.50 g/mol
Exact Mass292.20
IUPAC Nametrimethyl-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]silane
SMILESCc1ccc(N2CCN(CCO[Si](C)(C)C)CC2)cc1
InChIInChI=1S/C16H28N2OSi/c1-15-5-7-16(8-6-15)18-11-9-17(10-12-18)13-14-19-20(2,3)4/h5-8H,9-14H2,1-4H3
InChIKeyWWWVSVNXURXXGH-UHFFFAOYSA-N
XLogP2.97
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]silane?
The IUPAC name of trimethyl-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]silane (CID 3088550) is trimethyl-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]silane.
What is the SMILES notation for trimethyl-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]silane?
The canonical SMILES for trimethyl-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]silane is Cc1ccc(N2CCN(CCO[Si](C)(C)C)CC2)cc1.
What is the InChIKey of trimethyl-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]silane?
The InChIKey is WWWVSVNXURXXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OSi/c1-15-5-7-16(8-6-15)18-11-9-17(10-12-18)13-14-19-20(2,3)4/h5-8H,9-14H2,1-4H3.
What are the key properties of trimethyl-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]silane?
trimethyl-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]silane has a molecular weight of 292.50 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]silane is sourced from PubChem (CID 3088550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).