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

C15H18N4 — CID 32521701

IUPAC4-[[4-(2-cyanoethyl)piperazin-1-yl]methyl]benzonitrile
SMILESN#CCCN1CCN(Cc2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H18N4/c16-6-1-7-18-8-10-19(11-9-18)13-15-4-2-14(12-17)3-5-15/h2-5H,1,7-11,13H2
InChIKeyJKEUUCBRKYBPPY-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.59
Rot. Bonds4

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

4-[[4-(2-cyanoethyl)piperazin-1-yl]methyl]benzonitrile (PubChem CID 32521701) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-[[4-(2-cyanoethyl)piperazin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[4-(2-cyanoethyl)piperazin-1-yl]methyl]benzonitrile
PubChem CID32521701
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-[[4-(2-cyanoethyl)piperazin-1-yl]methyl]benzonitrile
SMILESN#CCCN1CCN(Cc2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H18N4/c16-6-1-7-18-8-10-19(11-9-18)13-15-4-2-14(12-17)3-5-15/h2-5H,1,7-11,13H2
InChIKeyJKEUUCBRKYBPPY-UHFFFAOYSA-N
XLogP1.59
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(2-cyanoethyl)piperazin-1-yl]methyl]benzonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-cyanoethyl)piperazin-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[4-(2-cyanoethyl)piperazin-1-yl]methyl]benzonitrile (CID 32521701) is 4-[[4-(2-cyanoethyl)piperazin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[4-(2-cyanoethyl)piperazin-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[4-(2-cyanoethyl)piperazin-1-yl]methyl]benzonitrile is N#CCCN1CCN(Cc2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-[[4-(2-cyanoethyl)piperazin-1-yl]methyl]benzonitrile?
The InChIKey is JKEUUCBRKYBPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c16-6-1-7-18-8-10-19(11-9-18)13-15-4-2-14(12-17)3-5-15/h2-5H,1,7-11,13H2.
What are the key properties of 4-[[4-(2-cyanoethyl)piperazin-1-yl]methyl]benzonitrile?
4-[[4-(2-cyanoethyl)piperazin-1-yl]methyl]benzonitrile has a molecular weight of 254.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-cyanoethyl)piperazin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 32521701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).