N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)methanimine

C18H20ClN3O — CID 795095

IUPACN-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(C=NN2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H20ClN3O/c1-23-18-8-2-15(3-9-18)14-20-22-12-10-21(11-13-22)17-6-4-16(19)5-7-17/h2-9,14H,10-13H2,1H3
InChIKeyARVFXJQWJCADQR-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.50
Rot. Bonds4

About N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)methanimine

N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)methanimine (PubChem CID 795095) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)methanimine
PubChem CID795095
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC NameN-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(C=NN2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H20ClN3O/c1-23-18-8-2-15(3-9-18)14-20-22-12-10-21(11-13-22)17-6-4-16(19)5-7-17/h2-9,14H,10-13H2,1H3
InChIKeyARVFXJQWJCADQR-UHFFFAOYSA-N
XLogP3.50
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.50
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 N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-[[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol
CID 135676753
3-[[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]phenol
CID 870110
1-(4-ethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine
CID 727396
(Z)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 5413994
(E)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 6896964
2-[(E)-[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol
CID 135603180
(E)-N-(4-phenylpiperazin-1-yl)-1-(4-propoxyphenyl)methanimine
CID 6879060
(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)methanimine
CID 5405984
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
N-[4-(4-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine
CID 2868304
1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)-1,4-diazepane
CID 55830862
4-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-(4-methoxyphenyl)-2,5-dihydropyrrole-3-carbonitrile
CID 25197965

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)methanimine?
The IUPAC name of N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)methanimine (CID 795095) is N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)methanimine.
What is the SMILES notation for N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)methanimine?
The canonical SMILES for N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)methanimine is COc1ccc(C=NN2CCN(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)methanimine?
The InChIKey is ARVFXJQWJCADQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-23-18-8-2-15(3-9-18)14-20-22-12-10-21(11-13-22)17-6-4-16(19)5-7-17/h2-9,14H,10-13H2,1H3.
What are the key properties of N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)methanimine?
N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)methanimine has a molecular weight of 329.83 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 795095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).