4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-dimethylaniline

C20H25ClN4 — CID 6861825

IUPAC4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C20H25ClN4/c1-23(2)19-9-7-17(8-10-19)15-22-25-13-11-24(12-14-25)16-18-5-3-4-6-20(18)21/h3-10,15H,11-14,16H2,1-2H3/b22-15+
InChIKeyVNUOLMATLPCKQO-PXLXIMEGSA-N
MW356.90 g/mol
LogP3.56
Rot. Bonds5

About 4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-dimethylaniline

4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-dimethylaniline (PubChem CID 6861825) has the molecular formula C20H25ClN4 and a molecular weight of 356.90 g/mol. Its IUPAC name is 4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-dimethylaniline
PubChem CID6861825
Molecular FormulaC20H25ClN4
Molecular Weight356.90 g/mol
Exact Mass356.18
IUPAC Name4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C20H25ClN4/c1-23(2)19-9-7-17(8-10-19)15-22-25-13-11-24(12-14-25)16-18-5-3-4-6-20(18)21/h3-10,15H,11-14,16H2,1-2H3/b22-15+
InChIKeyVNUOLMATLPCKQO-PXLXIMEGSA-N
XLogP3.56
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-dimethylaniline 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-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-dimethylaniline (CID 6861825) is 4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1.
What is the InChIKey of 4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-dimethylaniline?
The InChIKey is VNUOLMATLPCKQO-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H25ClN4/c1-23(2)19-9-7-17(8-10-19)15-22-25-13-11-24(12-14-25)16-18-5-3-4-6-20(18)21/h3-10,15H,11-14,16H2,1-2H3/b22-15+.
What are the key properties of 4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-dimethylaniline?
4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-dimethylaniline has a molecular weight of 356.90 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-N,N-dimethylaniline is sourced from PubChem (CID 6861825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).