2-[4-(2-cyanoethyl)piperazin-1-yl]benzonitrile

C14H16N4 — CID 117028312

IUPAC2-[4-(2-cyanoethyl)piperazin-1-yl]benzonitrile
SMILESN#CCCN1CCN(c2ccccc2C#N)CC1
InChIInChI=1S/C14H16N4/c15-6-3-7-17-8-10-18(11-9-17)14-5-2-1-4-13(14)12-16/h1-2,4-5H,3,7-11H2
InChIKeyFUOAXDCOQZCTGL-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.59
Rot. Bonds3

About 2-[4-(2-cyanoethyl)piperazin-1-yl]benzonitrile

2-[4-(2-cyanoethyl)piperazin-1-yl]benzonitrile (PubChem CID 117028312) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[4-(2-cyanoethyl)piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-(2-cyanoethyl)piperazin-1-yl]benzonitrile
PubChem CID117028312
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-[4-(2-cyanoethyl)piperazin-1-yl]benzonitrile
SMILESN#CCCN1CCN(c2ccccc2C#N)CC1
InChIInChI=1S/C14H16N4/c15-6-3-7-17-8-10-18(11-9-17)14-5-2-1-4-13(14)12-16/h1-2,4-5H,3,7-11H2
InChIKeyFUOAXDCOQZCTGL-UHFFFAOYSA-N
XLogP1.59
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanoethyl)piperazin-1-yl]benzonitrile?
The IUPAC name of 2-[4-(2-cyanoethyl)piperazin-1-yl]benzonitrile (CID 117028312) is 2-[4-(2-cyanoethyl)piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-(2-cyanoethyl)piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-[4-(2-cyanoethyl)piperazin-1-yl]benzonitrile is N#CCCN1CCN(c2ccccc2C#N)CC1.
What is the InChIKey of 2-[4-(2-cyanoethyl)piperazin-1-yl]benzonitrile?
The InChIKey is FUOAXDCOQZCTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c15-6-3-7-17-8-10-18(11-9-17)14-5-2-1-4-13(14)12-16/h1-2,4-5H,3,7-11H2.
What are the key properties of 2-[4-(2-cyanoethyl)piperazin-1-yl]benzonitrile?
2-[4-(2-cyanoethyl)piperazin-1-yl]benzonitrile has a molecular weight of 240.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyanoethyl)piperazin-1-yl]benzonitrile is sourced from PubChem (CID 117028312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).