[1-[(E)-but-1-enyl]-4-tert-butylpiperazin-2-yl]-dimethylsilane

C14H30N2Si — CID 173120866

IUPAC[1-[(E)-but-1-enyl]-4-tert-butylpiperazin-2-yl]-dimethylsilane
SMILESCC/C=C/N1CCN(C(C)(C)C)CC1[SiH](C)C
InChIInChI=1S/C14H30N2Si/c1-7-8-9-15-10-11-16(14(2,3)4)12-13(15)17(5)6/h8-9,13,17H,7,10-12H2,1-6H3/b9-8+
InChIKeyRVNRQLXTBCVGSZ-CMDGGOBGSA-N
MW254.49 g/mol
LogP2.72
Rot. Bonds3

About [1-[(E)-but-1-enyl]-4-tert-butylpiperazin-2-yl]-dimethylsilane

[1-[(E)-but-1-enyl]-4-tert-butylpiperazin-2-yl]-dimethylsilane (PubChem CID 173120866) has the molecular formula C14H30N2Si and a molecular weight of 254.49 g/mol. Its IUPAC name is [1-[(E)-but-1-enyl]-4-tert-butylpiperazin-2-yl]-dimethylsilane.

Molecular Properties

Compound Name[1-[(E)-but-1-enyl]-4-tert-butylpiperazin-2-yl]-dimethylsilane
PubChem CID173120866
Molecular FormulaC14H30N2Si
Molecular Weight254.49 g/mol
Exact Mass254.22
IUPAC Name[1-[(E)-but-1-enyl]-4-tert-butylpiperazin-2-yl]-dimethylsilane
SMILESCC/C=C/N1CCN(C(C)(C)C)CC1[SiH](C)C
InChIInChI=1S/C14H30N2Si/c1-7-8-9-15-10-11-16(14(2,3)4)12-13(15)17(5)6/h8-9,13,17H,7,10-12H2,1-6H3/b9-8+
InChIKeyRVNRQLXTBCVGSZ-CMDGGOBGSA-N
XLogP2.72
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 ≤ 52.72
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 [1-[(E)-but-1-enyl]-4-tert-butylpiperazin-2-yl]-dimethylsilane?
The IUPAC name of [1-[(E)-but-1-enyl]-4-tert-butylpiperazin-2-yl]-dimethylsilane (CID 173120866) is [1-[(E)-but-1-enyl]-4-tert-butylpiperazin-2-yl]-dimethylsilane.
What is the SMILES notation for [1-[(E)-but-1-enyl]-4-tert-butylpiperazin-2-yl]-dimethylsilane?
The canonical SMILES for [1-[(E)-but-1-enyl]-4-tert-butylpiperazin-2-yl]-dimethylsilane is CC/C=C/N1CCN(C(C)(C)C)CC1[SiH](C)C.
What is the InChIKey of [1-[(E)-but-1-enyl]-4-tert-butylpiperazin-2-yl]-dimethylsilane?
The InChIKey is RVNRQLXTBCVGSZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H30N2Si/c1-7-8-9-15-10-11-16(14(2,3)4)12-13(15)17(5)6/h8-9,13,17H,7,10-12H2,1-6H3/b9-8+.
What are the key properties of [1-[(E)-but-1-enyl]-4-tert-butylpiperazin-2-yl]-dimethylsilane?
[1-[(E)-but-1-enyl]-4-tert-butylpiperazin-2-yl]-dimethylsilane has a molecular weight of 254.49 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-but-1-enyl]-4-tert-butylpiperazin-2-yl]-dimethylsilane is sourced from PubChem (CID 173120866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).