2-methyl-3-(4-triethylsilylpiperazin-1-yl)propanenitrile

C14H29N3Si — CID 140660684

IUPAC2-methyl-3-(4-triethylsilylpiperazin-1-yl)propanenitrile
SMILESCC[Si](CC)(CC)N1CCN(CC(C)C#N)CC1
InChIInChI=1S/C14H29N3Si/c1-5-18(6-2,7-3)17-10-8-16(9-11-17)13-14(4)12-15/h14H,5-11,13H2,1-4H3
InChIKeyPLJAUPHBRUIJAP-UHFFFAOYSA-N
MW267.49 g/mol
LogP2.77
Rot. Bonds6

About 2-methyl-3-(4-triethylsilylpiperazin-1-yl)propanenitrile

2-methyl-3-(4-triethylsilylpiperazin-1-yl)propanenitrile (PubChem CID 140660684) has the molecular formula C14H29N3Si and a molecular weight of 267.49 g/mol. Its IUPAC name is 2-methyl-3-(4-triethylsilylpiperazin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-(4-triethylsilylpiperazin-1-yl)propanenitrile
PubChem CID140660684
Molecular FormulaC14H29N3Si
Molecular Weight267.49 g/mol
Exact Mass267.21
IUPAC Name2-methyl-3-(4-triethylsilylpiperazin-1-yl)propanenitrile
SMILESCC[Si](CC)(CC)N1CCN(CC(C)C#N)CC1
InChIInChI=1S/C14H29N3Si/c1-5-18(6-2,7-3)17-10-8-16(9-11-17)13-14(4)12-15/h14H,5-11,13H2,1-4H3
InChIKeyPLJAUPHBRUIJAP-UHFFFAOYSA-N
XLogP2.77
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.49
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(azetidin-1-yl)-2-methylpropanenitrile
CID 130161753
3-(4-butan-2-ylpiperazin-1-yl)-2-methylpropanenitrile
CID 62772469
3-(4-ethylsulfonylpiperazin-1-yl)-2-methylpropanenitrile
CID 82020251
2-methyl-3-thiomorpholin-4-ylpropanenitrile
CID 43174855
(2S)-2-methyl-3-morpholin-4-ylpropanenitrile
CID 39161429
3-(4-ethoxypiperidin-1-yl)-2-methylpropanenitrile
CID 61220882
3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropanenitrile
CID 43367389
3-(3-hydroxypiperidin-1-yl)-2-methylpropanenitrile
CID 60649366
3-(3,4-dihydroxypyrrolidin-1-yl)-2-methylpropanenitrile
CID 106669465
3-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-methylpropanenitrile
CID 130778622
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methylpropanenitrile
CID 115559882
(2S)-2-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8819224

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-triethylsilylpiperazin-1-yl)propanenitrile?
The IUPAC name of 2-methyl-3-(4-triethylsilylpiperazin-1-yl)propanenitrile (CID 140660684) is 2-methyl-3-(4-triethylsilylpiperazin-1-yl)propanenitrile.
What is the SMILES notation for 2-methyl-3-(4-triethylsilylpiperazin-1-yl)propanenitrile?
The canonical SMILES for 2-methyl-3-(4-triethylsilylpiperazin-1-yl)propanenitrile is CC[Si](CC)(CC)N1CCN(CC(C)C#N)CC1.
What is the InChIKey of 2-methyl-3-(4-triethylsilylpiperazin-1-yl)propanenitrile?
The InChIKey is PLJAUPHBRUIJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3Si/c1-5-18(6-2,7-3)17-10-8-16(9-11-17)13-14(4)12-15/h14H,5-11,13H2,1-4H3.
What are the key properties of 2-methyl-3-(4-triethylsilylpiperazin-1-yl)propanenitrile?
2-methyl-3-(4-triethylsilylpiperazin-1-yl)propanenitrile has a molecular weight of 267.49 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-triethylsilylpiperazin-1-yl)propanenitrile is sourced from PubChem (CID 140660684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).