1-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanone

C14H18Cl2N2O — CID 2407021

IUPAC1-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(CC(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O/c1-2-17-5-7-18(8-6-17)10-14(19)12-9-11(15)3-4-13(12)16/h3-4,9H,2,5-8,10H2,1H3
InChIKeyNITWHXYORYZHGR-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.81
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanone

1-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 2407021) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanone
PubChem CID2407021
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name1-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(CC(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O/c1-2-17-5-7-18(8-6-17)10-14(19)12-9-11(15)3-4-13(12)16/h3-4,9H,2,5-8,10H2,1H3
InChIKeyNITWHXYORYZHGR-UHFFFAOYSA-N
XLogP2.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanone 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 1-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanone (CID 2407021) is 1-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(CC(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is NITWHXYORYZHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-2-17-5-7-18(8-6-17)10-14(19)12-9-11(15)3-4-13(12)16/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanone?
1-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 301.22 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2407021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).