(E)-1-(4-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine

C22H22ClN3 — CID 6867526

IUPAC(E)-1-(4-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
SMILESClc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C22H22ClN3/c23-21-10-8-18(9-11-21)16-24-26-14-12-25(13-15-26)17-20-6-3-5-19-4-1-2-7-22(19)20/h1-11,16H,12-15,17H2/b24-16+
InChIKeyVWNQUZHYKHQIOD-LFVJCYFKSA-N
MW363.89 g/mol
LogP4.64
Rot. Bonds4

About (E)-1-(4-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine

(E)-1-(4-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine (PubChem CID 6867526) has the molecular formula C22H22ClN3 and a molecular weight of 363.89 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
PubChem CID6867526
Molecular FormulaC22H22ClN3
Molecular Weight363.89 g/mol
Exact Mass363.15
IUPAC Name(E)-1-(4-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
SMILESClc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C22H22ClN3/c23-21-10-8-18(9-11-21)16-24-26-14-12-25(13-15-26)17-20-6-3-5-19-4-1-2-7-22(19)20/h1-11,16H,12-15,17H2/b24-16+
InChIKeyVWNQUZHYKHQIOD-LFVJCYFKSA-N
XLogP4.64
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 54.64
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'}

Analyze (E)-1-(4-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]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)-1-(4-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The IUPAC name of (E)-1-(4-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine (CID 6867526) is (E)-1-(4-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is Clc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The InChIKey is VWNQUZHYKHQIOD-LFVJCYFKSA-N. The full InChI is InChI=1S/C22H22ClN3/c23-21-10-8-18(9-11-21)16-24-26-14-12-25(13-15-26)17-20-6-3-5-19-4-1-2-7-22(19)20/h1-11,16H,12-15,17H2/b24-16+.
What are the key properties of (E)-1-(4-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
(E)-1-(4-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine has a molecular weight of 363.89 g/mol, XLogP of 4.64, 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-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is sourced from PubChem (CID 6867526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).