4-(1-cyanoethyl)-1-methylpiperazine-2-carbonitrile

C9H14N4 — CID 131067402

IUPAC4-(1-cyanoethyl)-1-methylpiperazine-2-carbonitrile
SMILESCC(C#N)N1CCN(C)C(C#N)C1
InChIInChI=1S/C9H14N4/c1-8(5-10)13-4-3-12(2)9(6-11)7-13/h8-9H,3-4,7H2,1-2H3
InChIKeyOCFVJXZJPWFWKW-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.04
Rot. Bonds1

About 4-(1-cyanoethyl)-1-methylpiperazine-2-carbonitrile

4-(1-cyanoethyl)-1-methylpiperazine-2-carbonitrile (PubChem CID 131067402) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-(1-cyanoethyl)-1-methylpiperazine-2-carbonitrile.

Molecular Properties

Compound Name4-(1-cyanoethyl)-1-methylpiperazine-2-carbonitrile
PubChem CID131067402
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name4-(1-cyanoethyl)-1-methylpiperazine-2-carbonitrile
SMILESCC(C#N)N1CCN(C)C(C#N)C1
InChIInChI=1S/C9H14N4/c1-8(5-10)13-4-3-12(2)9(6-11)7-13/h8-9H,3-4,7H2,1-2H3
InChIKeyOCFVJXZJPWFWKW-UHFFFAOYSA-N
XLogP0.04
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(2-methylpropyl)piperazine-2-carbonitrile
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(2R)-1,4-dimethyl-1,4-diazepane-2-carbonitrile
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2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanenitrile
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2-(4-hydroxy-3-methylpiperidin-1-yl)propanenitrile
CID 114502562
2-(3-formylpiperidin-1-yl)propanenitrile
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2-[2-(1-aminoethyl)morpholin-4-yl]propanenitrile
CID 115315413
2-[3-(trifluoromethyl)piperidin-1-yl]propanenitrile
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2-(4-but-2-ynylpiperazin-1-yl)propanenitrile
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3-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile
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CID 60704176

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyanoethyl)-1-methylpiperazine-2-carbonitrile?
The IUPAC name of 4-(1-cyanoethyl)-1-methylpiperazine-2-carbonitrile (CID 131067402) is 4-(1-cyanoethyl)-1-methylpiperazine-2-carbonitrile.
What is the SMILES notation for 4-(1-cyanoethyl)-1-methylpiperazine-2-carbonitrile?
The canonical SMILES for 4-(1-cyanoethyl)-1-methylpiperazine-2-carbonitrile is CC(C#N)N1CCN(C)C(C#N)C1.
What is the InChIKey of 4-(1-cyanoethyl)-1-methylpiperazine-2-carbonitrile?
The InChIKey is OCFVJXZJPWFWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-8(5-10)13-4-3-12(2)9(6-11)7-13/h8-9H,3-4,7H2,1-2H3.
What are the key properties of 4-(1-cyanoethyl)-1-methylpiperazine-2-carbonitrile?
4-(1-cyanoethyl)-1-methylpiperazine-2-carbonitrile has a molecular weight of 178.24 g/mol, XLogP of 0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyanoethyl)-1-methylpiperazine-2-carbonitrile is sourced from PubChem (CID 131067402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).