2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]butanenitrile

C15H22N4 — CID 63339911

IUPAC2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C15H22N4/c1-2-15(13-16)19-11-9-18(10-12-19)8-6-14-5-3-4-7-17-14/h3-5,7,15H,2,6,8-12H2,1H3
InChIKeyXJACCJJSKCABLF-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.54
Rot. Bonds5

About 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]butanenitrile

2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]butanenitrile (PubChem CID 63339911) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]butanenitrile
PubChem CID63339911
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C15H22N4/c1-2-15(13-16)19-11-9-18(10-12-19)8-6-14-5-3-4-7-17-14/h3-5,7,15H,2,6,8-12H2,1H3
InChIKeyXJACCJJSKCABLF-UHFFFAOYSA-N
XLogP1.54
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 55057978
2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanenitrile
CID 82897600
1-propan-2-yloxy-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-2-ol;hydrochloride
CID 56723815
3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95288523
4-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-ol
CID 80702351
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 33207768
2-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]butanenitrile
CID 104797249
2-(4-quinolin-4-ylpiperazin-1-yl)butanenitrile
CID 63343798
4-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 103576660
2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pentanenitrile
CID 114527876
3-[4-(1-cyanopropyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 63343981
6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridin-3-amine
CID 60892817

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]butanenitrile?
The IUPAC name of 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]butanenitrile (CID 63339911) is 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]butanenitrile.
What is the SMILES notation for 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]butanenitrile?
The canonical SMILES for 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]butanenitrile is CCC(C#N)N1CCN(CCc2ccccn2)CC1.
What is the InChIKey of 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]butanenitrile?
The InChIKey is XJACCJJSKCABLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-2-15(13-16)19-11-9-18(10-12-19)8-6-14-5-3-4-7-17-14/h3-5,7,15H,2,6,8-12H2,1H3.
What are the key properties of 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]butanenitrile?
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]butanenitrile has a molecular weight of 258.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]butanenitrile is sourced from PubChem (CID 63339911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).