2-(4-ethyl-3-methylpiperazin-1-yl)benzonitrile

C14H19N3 — CID 55215261

IUPAC2-(4-ethyl-3-methylpiperazin-1-yl)benzonitrile
SMILESCCN1CCN(c2ccccc2C#N)CC1C
InChIInChI=1S/C14H19N3/c1-3-16-8-9-17(11-12(16)2)14-7-5-4-6-13(14)10-15/h4-7,12H,3,8-9,11H2,1-2H3
InChIKeyLRPNLPNLHNSGHU-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.09
Rot. Bonds2

About 2-(4-ethyl-3-methylpiperazin-1-yl)benzonitrile

2-(4-ethyl-3-methylpiperazin-1-yl)benzonitrile (PubChem CID 55215261) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(4-ethyl-3-methylpiperazin-1-yl)benzonitrile.

Molecular Properties

Compound Name2-(4-ethyl-3-methylpiperazin-1-yl)benzonitrile
PubChem CID55215261
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-(4-ethyl-3-methylpiperazin-1-yl)benzonitrile
SMILESCCN1CCN(c2ccccc2C#N)CC1C
InChIInChI=1S/C14H19N3/c1-3-16-8-9-17(11-12(16)2)14-7-5-4-6-13(14)10-15/h4-7,12H,3,8-9,11H2,1-2H3
InChIKeyLRPNLPNLHNSGHU-UHFFFAOYSA-N
XLogP2.09
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethyl-3-methylpiperazin-1-yl)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 2-(4-ethyl-3-methylpiperazin-1-yl)benzonitrile?
The IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)benzonitrile (CID 55215261) is 2-(4-ethyl-3-methylpiperazin-1-yl)benzonitrile.
What is the SMILES notation for 2-(4-ethyl-3-methylpiperazin-1-yl)benzonitrile?
The canonical SMILES for 2-(4-ethyl-3-methylpiperazin-1-yl)benzonitrile is CCN1CCN(c2ccccc2C#N)CC1C.
What is the InChIKey of 2-(4-ethyl-3-methylpiperazin-1-yl)benzonitrile?
The InChIKey is LRPNLPNLHNSGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-16-8-9-17(11-12(16)2)14-7-5-4-6-13(14)10-15/h4-7,12H,3,8-9,11H2,1-2H3.
What are the key properties of 2-(4-ethyl-3-methylpiperazin-1-yl)benzonitrile?
2-(4-ethyl-3-methylpiperazin-1-yl)benzonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-methylpiperazin-1-yl)benzonitrile is sourced from PubChem (CID 55215261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).