[4-[2-(benzylideneamino)ethyl]piperazin-1-yl]-(4-chlorophenyl)methanone

C20H22ClN3O — CID 2822210

IUPAC[4-[2-(benzylideneamino)ethyl]piperazin-1-yl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(CC/N=C/c2ccccc2)CC1
InChIInChI=1S/C20H22ClN3O/c21-19-8-6-18(7-9-19)20(25)24-14-12-23(13-15-24)11-10-22-16-17-4-2-1-3-5-17/h1-9,16H,10-15H2/b22-16+
InChIKeyJCTMMERDDCFJNT-CJLVFECKSA-N
MW355.87 g/mol
LogP3.22
Rot. Bonds5

About [4-[2-(benzylideneamino)ethyl]piperazin-1-yl]-(4-chlorophenyl)methanone

[4-[2-(benzylideneamino)ethyl]piperazin-1-yl]-(4-chlorophenyl)methanone (PubChem CID 2822210) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is [4-[2-(benzylideneamino)ethyl]piperazin-1-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-[2-(benzylideneamino)ethyl]piperazin-1-yl]-(4-chlorophenyl)methanone
PubChem CID2822210
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name[4-[2-(benzylideneamino)ethyl]piperazin-1-yl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(CC/N=C/c2ccccc2)CC1
InChIInChI=1S/C20H22ClN3O/c21-19-8-6-18(7-9-19)20(25)24-14-12-23(13-15-24)11-10-22-16-17-4-2-1-3-5-17/h1-9,16H,10-15H2/b22-16+
InChIKeyJCTMMERDDCFJNT-CJLVFECKSA-N
XLogP3.22
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [4-[2-(benzylideneamino)ethyl]piperazin-1-yl]-(4-chlorophenyl)methanone 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

4-[2-(benzylideneamino)ethyl]piperazine-1-carboxamide
CID 171337663
5-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyliminomethyl]-1,3-diazinane-2,4,6-trione
CID 7025998
(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073693
3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 24674722
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709754
(4-aminophenyl)-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 18946357
(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294991
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-(4-chlorophenyl)acetamide
CID 110397785
1-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)methanimine
CID 134097917
[4-(3-chloropropyl)piperazin-1-yl]-phenylmethanone
CID 53486748
3-(4-benzoylpiperazin-1-yl)propanoic acid
CID 2050697
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46550522

Frequently Asked Questions

What is the IUPAC name of [4-[2-(benzylideneamino)ethyl]piperazin-1-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [4-[2-(benzylideneamino)ethyl]piperazin-1-yl]-(4-chlorophenyl)methanone (CID 2822210) is [4-[2-(benzylideneamino)ethyl]piperazin-1-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [4-[2-(benzylideneamino)ethyl]piperazin-1-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [4-[2-(benzylideneamino)ethyl]piperazin-1-yl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)N1CCN(CC/N=C/c2ccccc2)CC1.
What is the InChIKey of [4-[2-(benzylideneamino)ethyl]piperazin-1-yl]-(4-chlorophenyl)methanone?
The InChIKey is JCTMMERDDCFJNT-CJLVFECKSA-N. The full InChI is InChI=1S/C20H22ClN3O/c21-19-8-6-18(7-9-19)20(25)24-14-12-23(13-15-24)11-10-22-16-17-4-2-1-3-5-17/h1-9,16H,10-15H2/b22-16+.
What are the key properties of [4-[2-(benzylideneamino)ethyl]piperazin-1-yl]-(4-chlorophenyl)methanone?
[4-[2-(benzylideneamino)ethyl]piperazin-1-yl]-(4-chlorophenyl)methanone has a molecular weight of 355.87 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(benzylideneamino)ethyl]piperazin-1-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 2822210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).