(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine

C17H17ClN4O2 — CID 5343134

IUPAC(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccccc1/C=N/N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H17ClN4O2/c18-15-5-7-16(8-6-15)20-9-11-21(12-10-20)19-13-14-3-1-2-4-17(14)22(23)24/h1-8,13H,9-12H2/b19-13+
InChIKeyDVAKTGFHOXUGRT-CPNJWEJPSA-N
MW344.80 g/mol
LogP3.40
Rot. Bonds4

About (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine

(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine (PubChem CID 5343134) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine
PubChem CID5343134
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccccc1/C=N/N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H17ClN4O2/c18-15-5-7-16(8-6-15)20-9-11-21(12-10-20)19-13-14-3-1-2-4-17(14)22(23)24/h1-8,13H,9-12H2/b19-13+
InChIKeyDVAKTGFHOXUGRT-CPNJWEJPSA-N
XLogP3.40
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine 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 (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine?
The IUPAC name of (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine (CID 5343134) is (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine.
What is the SMILES notation for (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine?
The canonical SMILES for (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine is O=[N+]([O-])c1ccccc1/C=N/N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine?
The InChIKey is DVAKTGFHOXUGRT-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c18-15-5-7-16(8-6-15)20-9-11-21(12-10-20)19-13-14-3-1-2-4-17(14)22(23)24/h1-8,13H,9-12H2/b19-13+.
What are the key properties of (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine?
(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine has a molecular weight of 344.80 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine is sourced from PubChem (CID 5343134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).