(4-tert-butyl-1-prop-2-enylpiperazin-2-yl)-dimethylsilane

C13H28N2Si — CID 173120796

IUPAC(4-tert-butyl-1-prop-2-enylpiperazin-2-yl)-dimethylsilane
SMILESC=CCN1CCN(C(C)(C)C)CC1[SiH](C)C
InChIInChI=1S/C13H28N2Si/c1-7-8-14-9-10-15(13(2,3)4)11-12(14)16(5)6/h7,12,16H,1,8-11H2,2-6H3
InChIKeyKRHSQKOGISSBIP-UHFFFAOYSA-N
MW240.47 g/mol
LogP1.98
Rot. Bonds3

About (4-tert-butyl-1-prop-2-enylpiperazin-2-yl)-dimethylsilane

(4-tert-butyl-1-prop-2-enylpiperazin-2-yl)-dimethylsilane (PubChem CID 173120796) has the molecular formula C13H28N2Si and a molecular weight of 240.47 g/mol. Its IUPAC name is (4-tert-butyl-1-prop-2-enylpiperazin-2-yl)-dimethylsilane.

Molecular Properties

Compound Name(4-tert-butyl-1-prop-2-enylpiperazin-2-yl)-dimethylsilane
PubChem CID173120796
Molecular FormulaC13H28N2Si
Molecular Weight240.47 g/mol
Exact Mass240.20
IUPAC Name(4-tert-butyl-1-prop-2-enylpiperazin-2-yl)-dimethylsilane
SMILESC=CCN1CCN(C(C)(C)C)CC1[SiH](C)C
InChIInChI=1S/C13H28N2Si/c1-7-8-14-9-10-15(13(2,3)4)11-12(14)16(5)6/h7,12,16H,1,8-11H2,2-6H3
InChIKeyKRHSQKOGISSBIP-UHFFFAOYSA-N
XLogP1.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.47
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-1-prop-2-enylpiperazin-2-yl)-dimethylsilane?
The IUPAC name of (4-tert-butyl-1-prop-2-enylpiperazin-2-yl)-dimethylsilane (CID 173120796) is (4-tert-butyl-1-prop-2-enylpiperazin-2-yl)-dimethylsilane.
What is the SMILES notation for (4-tert-butyl-1-prop-2-enylpiperazin-2-yl)-dimethylsilane?
The canonical SMILES for (4-tert-butyl-1-prop-2-enylpiperazin-2-yl)-dimethylsilane is C=CCN1CCN(C(C)(C)C)CC1[SiH](C)C.
What is the InChIKey of (4-tert-butyl-1-prop-2-enylpiperazin-2-yl)-dimethylsilane?
The InChIKey is KRHSQKOGISSBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2Si/c1-7-8-14-9-10-15(13(2,3)4)11-12(14)16(5)6/h7,12,16H,1,8-11H2,2-6H3.
What are the key properties of (4-tert-butyl-1-prop-2-enylpiperazin-2-yl)-dimethylsilane?
(4-tert-butyl-1-prop-2-enylpiperazin-2-yl)-dimethylsilane has a molecular weight of 240.47 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-1-prop-2-enylpiperazin-2-yl)-dimethylsilane is sourced from PubChem (CID 173120796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).