[4-(4-dipropoxysilylbutyl)piperazin-1-yl]-tri(propan-2-yl)silane

C23H52N2O2Si2 — CID 123388378

IUPAC[4-(4-dipropoxysilylbutyl)piperazin-1-yl]-tri(propan-2-yl)silane
SMILESCCCO[SiH](CCCCN1CCN([Si](C(C)C)(C(C)C)C(C)C)CC1)OCCC
InChIInChI=1S/C23H52N2O2Si2/c1-9-18-26-28(27-19-10-2)20-12-11-13-24-14-16-25(17-15-24)29(21(3)4,22(5)6)23(7)8/h21-23,28H,9-20H2,1-8H3
InChIKeyVISISTQNBNXBPV-UHFFFAOYSA-N
MW444.85 g/mol
LogP5.63
Rot. Bonds15

About [4-(4-dipropoxysilylbutyl)piperazin-1-yl]-tri(propan-2-yl)silane

[4-(4-dipropoxysilylbutyl)piperazin-1-yl]-tri(propan-2-yl)silane (PubChem CID 123388378) has the molecular formula C23H52N2O2Si2 and a molecular weight of 444.85 g/mol. Its IUPAC name is [4-(4-dipropoxysilylbutyl)piperazin-1-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[4-(4-dipropoxysilylbutyl)piperazin-1-yl]-tri(propan-2-yl)silane
PubChem CID123388378
Molecular FormulaC23H52N2O2Si2
Molecular Weight444.85 g/mol
Exact Mass444.36
IUPAC Name[4-(4-dipropoxysilylbutyl)piperazin-1-yl]-tri(propan-2-yl)silane
SMILESCCCO[SiH](CCCCN1CCN([Si](C(C)C)(C(C)C)C(C)C)CC1)OCCC
InChIInChI=1S/C23H52N2O2Si2/c1-9-18-26-28(27-19-10-2)20-12-11-13-24-14-16-25(17-15-24)29(21(3)4,22(5)6)23(7)8/h21-23,28H,9-20H2,1-8H3
InChIKeyVISISTQNBNXBPV-UHFFFAOYSA-N
XLogP5.63
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.85
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-dipropoxysilylbutyl)piperazin-1-yl]-tri(propan-2-yl)silane?
The IUPAC name of [4-(4-dipropoxysilylbutyl)piperazin-1-yl]-tri(propan-2-yl)silane (CID 123388378) is [4-(4-dipropoxysilylbutyl)piperazin-1-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [4-(4-dipropoxysilylbutyl)piperazin-1-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [4-(4-dipropoxysilylbutyl)piperazin-1-yl]-tri(propan-2-yl)silane is CCCO[SiH](CCCCN1CCN([Si](C(C)C)(C(C)C)C(C)C)CC1)OCCC.
What is the InChIKey of [4-(4-dipropoxysilylbutyl)piperazin-1-yl]-tri(propan-2-yl)silane?
The InChIKey is VISISTQNBNXBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H52N2O2Si2/c1-9-18-26-28(27-19-10-2)20-12-11-13-24-14-16-25(17-15-24)29(21(3)4,22(5)6)23(7)8/h21-23,28H,9-20H2,1-8H3.
What are the key properties of [4-(4-dipropoxysilylbutyl)piperazin-1-yl]-tri(propan-2-yl)silane?
[4-(4-dipropoxysilylbutyl)piperazin-1-yl]-tri(propan-2-yl)silane has a molecular weight of 444.85 g/mol, XLogP of 5.63, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-dipropoxysilylbutyl)piperazin-1-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 123388378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).