(E)-N-(4-benzylpiperazin-1-yl)-1-(4-ethylphenyl)methanimine

C20H25N3 — CID 6861749

IUPAC(E)-N-(4-benzylpiperazin-1-yl)-1-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3/c1-2-18-8-10-19(11-9-18)16-21-23-14-12-22(13-15-23)17-20-6-4-3-5-7-20/h3-11,16H,2,12-15,17H2,1H3/b21-16+
InChIKeyDOWZIOLVPXYXPC-LTGZKZEYSA-N
MW307.44 g/mol
LogP3.40
Rot. Bonds5

About (E)-N-(4-benzylpiperazin-1-yl)-1-(4-ethylphenyl)methanimine

(E)-N-(4-benzylpiperazin-1-yl)-1-(4-ethylphenyl)methanimine (PubChem CID 6861749) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is (E)-N-(4-benzylpiperazin-1-yl)-1-(4-ethylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-(4-benzylpiperazin-1-yl)-1-(4-ethylphenyl)methanimine
PubChem CID6861749
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name(E)-N-(4-benzylpiperazin-1-yl)-1-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3/c1-2-18-8-10-19(11-9-18)16-21-23-14-12-22(13-15-23)17-20-6-4-3-5-7-20/h3-11,16H,2,12-15,17H2,1H3/b21-16+
InChIKeyDOWZIOLVPXYXPC-LTGZKZEYSA-N
XLogP3.40
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.40
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)-N-(4-benzylpiperazin-1-yl)-1-(4-ethylphenyl)methanimine?
The IUPAC name of (E)-N-(4-benzylpiperazin-1-yl)-1-(4-ethylphenyl)methanimine (CID 6861749) is (E)-N-(4-benzylpiperazin-1-yl)-1-(4-ethylphenyl)methanimine.
What is the SMILES notation for (E)-N-(4-benzylpiperazin-1-yl)-1-(4-ethylphenyl)methanimine?
The canonical SMILES for (E)-N-(4-benzylpiperazin-1-yl)-1-(4-ethylphenyl)methanimine is CCc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of (E)-N-(4-benzylpiperazin-1-yl)-1-(4-ethylphenyl)methanimine?
The InChIKey is DOWZIOLVPXYXPC-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H25N3/c1-2-18-8-10-19(11-9-18)16-21-23-14-12-22(13-15-23)17-20-6-4-3-5-7-20/h3-11,16H,2,12-15,17H2,1H3/b21-16+.
What are the key properties of (E)-N-(4-benzylpiperazin-1-yl)-1-(4-ethylphenyl)methanimine?
(E)-N-(4-benzylpiperazin-1-yl)-1-(4-ethylphenyl)methanimine has a molecular weight of 307.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-benzylpiperazin-1-yl)-1-(4-ethylphenyl)methanimine is sourced from PubChem (CID 6861749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).