1-(4-ethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine

C20H25N3O — CID 727396

IUPAC1-(4-ethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine
SMILESCCOc1ccc(C=NN2CCN(c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H25N3O/c1-3-24-20-10-6-18(7-11-20)16-21-23-14-12-22(13-15-23)19-8-4-17(2)5-9-19/h4-11,16H,3,12-15H2,1-2H3
InChIKeyVEUMUGUMYPCBHD-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.55
Rot. Bonds5

About 1-(4-ethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine

1-(4-ethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine (PubChem CID 727396) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine
PubChem CID727396
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-(4-ethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine
SMILESCCOc1ccc(C=NN2CCN(c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H25N3O/c1-3-24-20-10-6-18(7-11-20)16-21-23-14-12-22(13-15-23)19-8-4-17(2)5-9-19/h4-11,16H,3,12-15H2,1-2H3
InChIKeyVEUMUGUMYPCBHD-UHFFFAOYSA-N
XLogP3.55
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(4-ethoxyphenyl)-N-[4-(4-methylphenyl)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

Related Compounds

(E)-N-(4-phenylpiperazin-1-yl)-1-(4-propoxyphenyl)methanimine
CID 6879060
N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(4-ethoxyphenyl)methanimine
CID 1367450
N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)methanimine
CID 795095
1-(4-ethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 767226
N-[4-(4-methylphenyl)piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine
CID 23940384
2-(4-ethoxyphenyl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine
CID 6482907
3-(4-ethoxyphenyl)-4-[(Z)-(4-methylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 5421051
(E)-1-(4-ethoxy-3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 6900531
(E)-1-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine
CID 6893865
2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 5332496
N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine
CID 726928
2-[4-(4-ethoxyphenyl)piperazin-1-yl]acetonitrile
CID 82118336

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine (CID 727396) is 1-(4-ethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine is CCOc1ccc(C=NN2CCN(c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine?
The InChIKey is VEUMUGUMYPCBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-3-24-20-10-6-18(7-11-20)16-21-23-14-12-22(13-15-23)19-8-4-17(2)5-9-19/h4-11,16H,3,12-15H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine?
1-(4-ethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine has a molecular weight of 323.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine is sourced from PubChem (CID 727396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).