(E)-N-(4-benzylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)methanimine

C21H27N3 — CID 6861787

IUPAC(E)-N-(4-benzylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)methanimine
SMILESCC(C)c1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3/c1-18(2)21-10-8-19(9-11-21)16-22-24-14-12-23(13-15-24)17-20-6-4-3-5-7-20/h3-11,16,18H,12-15,17H2,1-2H3/b22-16+
InChIKeyCZDOZBKVEURNLN-CJLVFECKSA-N
MW321.47 g/mol
LogP3.96
Rot. Bonds5

About (E)-N-(4-benzylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)methanimine

(E)-N-(4-benzylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)methanimine (PubChem CID 6861787) has the molecular formula C21H27N3 and a molecular weight of 321.47 g/mol. Its IUPAC name is (E)-N-(4-benzylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-(4-benzylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)methanimine
PubChem CID6861787
Molecular FormulaC21H27N3
Molecular Weight321.47 g/mol
Exact Mass321.22
IUPAC Name(E)-N-(4-benzylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)methanimine
SMILESCC(C)c1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3/c1-18(2)21-10-8-19(9-11-21)16-22-24-14-12-23(13-15-24)17-20-6-4-3-5-7-20/h3-11,16,18H,12-15,17H2,1-2H3/b22-16+
InChIKeyCZDOZBKVEURNLN-CJLVFECKSA-N
XLogP3.96
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.96
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)-N-(4-benzylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)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)-N-(4-benzylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)methanimine?
The IUPAC name of (E)-N-(4-benzylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)methanimine (CID 6861787) is (E)-N-(4-benzylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)methanimine.
What is the SMILES notation for (E)-N-(4-benzylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)methanimine?
The canonical SMILES for (E)-N-(4-benzylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)methanimine is CC(C)c1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of (E)-N-(4-benzylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)methanimine?
The InChIKey is CZDOZBKVEURNLN-CJLVFECKSA-N. The full InChI is InChI=1S/C21H27N3/c1-18(2)21-10-8-19(9-11-21)16-22-24-14-12-23(13-15-24)17-20-6-4-3-5-7-20/h3-11,16,18H,12-15,17H2,1-2H3/b22-16+.
What are the key properties of (E)-N-(4-benzylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)methanimine?
(E)-N-(4-benzylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)methanimine has a molecular weight of 321.47 g/mol, XLogP of 3.96, 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-propan-2-ylphenyl)methanimine is sourced from PubChem (CID 6861787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).