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

C18H19Cl2N3 — CID 5342835

IUPAC(E)-1-(4-chlorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine
SMILESClc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C18H19Cl2N3/c19-17-7-5-15(6-8-17)13-21-23-11-9-22(10-12-23)14-16-3-1-2-4-18(16)20/h1-8,13H,9-12,14H2/b21-13+
InChIKeyVAEYKRLNDAXEIH-FYJGNVAPSA-N
MW348.28 g/mol
LogP4.15
Rot. Bonds4

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

(E)-1-(4-chlorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine (PubChem CID 5342835) has the molecular formula C18H19Cl2N3 and a molecular weight of 348.28 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine
PubChem CID5342835
Molecular FormulaC18H19Cl2N3
Molecular Weight348.28 g/mol
Exact Mass347.10
IUPAC Name(E)-1-(4-chlorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine
SMILESClc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C18H19Cl2N3/c19-17-7-5-15(6-8-17)13-21-23-11-9-22(10-12-23)14-16-3-1-2-4-18(16)20/h1-8,13H,9-12,14H2/b21-13+
InChIKeyVAEYKRLNDAXEIH-FYJGNVAPSA-N
XLogP4.15
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine?
The IUPAC name of (E)-1-(4-chlorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine (CID 5342835) is (E)-1-(4-chlorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine is Clc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine?
The InChIKey is VAEYKRLNDAXEIH-FYJGNVAPSA-N. The full InChI is InChI=1S/C18H19Cl2N3/c19-17-7-5-15(6-8-17)13-21-23-11-9-22(10-12-23)14-16-3-1-2-4-18(16)20/h1-8,13H,9-12,14H2/b21-13+.
What are the key properties of (E)-1-(4-chlorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine?
(E)-1-(4-chlorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine has a molecular weight of 348.28 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine is sourced from PubChem (CID 5342835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).