(4-but-1-enylpiperazin-1-yl)-tert-butyl-dimethylsilane

C14H30N2Si — CID 87615992

IUPAC(4-but-1-enylpiperazin-1-yl)-tert-butyl-dimethylsilane
SMILESCCC=CN1CCN([Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C14H30N2Si/c1-7-8-9-15-10-12-16(13-11-15)17(5,6)14(2,3)4/h8-9H,7,10-13H2,1-6H3
InChIKeyOTQGDEACENBQMU-UHFFFAOYSA-N
MW254.49 g/mol
LogP3.53
Rot. Bonds3

About (4-but-1-enylpiperazin-1-yl)-tert-butyl-dimethylsilane

(4-but-1-enylpiperazin-1-yl)-tert-butyl-dimethylsilane (PubChem CID 87615992) has the molecular formula C14H30N2Si and a molecular weight of 254.49 g/mol. Its IUPAC name is (4-but-1-enylpiperazin-1-yl)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(4-but-1-enylpiperazin-1-yl)-tert-butyl-dimethylsilane
PubChem CID87615992
Molecular FormulaC14H30N2Si
Molecular Weight254.49 g/mol
Exact Mass254.22
IUPAC Name(4-but-1-enylpiperazin-1-yl)-tert-butyl-dimethylsilane
SMILESCCC=CN1CCN([Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C14H30N2Si/c1-7-8-9-15-10-12-16(13-11-15)17(5,6)14(2,3)4/h8-9H,7,10-13H2,1-6H3
InChIKeyOTQGDEACENBQMU-UHFFFAOYSA-N
XLogP3.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.49
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-but-1-enylpiperazin-1-yl)-tert-butyl-dimethylsilane?
The IUPAC name of (4-but-1-enylpiperazin-1-yl)-tert-butyl-dimethylsilane (CID 87615992) is (4-but-1-enylpiperazin-1-yl)-tert-butyl-dimethylsilane.
What is the SMILES notation for (4-but-1-enylpiperazin-1-yl)-tert-butyl-dimethylsilane?
The canonical SMILES for (4-but-1-enylpiperazin-1-yl)-tert-butyl-dimethylsilane is CCC=CN1CCN([Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of (4-but-1-enylpiperazin-1-yl)-tert-butyl-dimethylsilane?
The InChIKey is OTQGDEACENBQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2Si/c1-7-8-9-15-10-12-16(13-11-15)17(5,6)14(2,3)4/h8-9H,7,10-13H2,1-6H3.
What are the key properties of (4-but-1-enylpiperazin-1-yl)-tert-butyl-dimethylsilane?
(4-but-1-enylpiperazin-1-yl)-tert-butyl-dimethylsilane has a molecular weight of 254.49 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-but-1-enylpiperazin-1-yl)-tert-butyl-dimethylsilane is sourced from PubChem (CID 87615992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).