1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethoxyethanone

C14H19ClN2O2 — CID 2162986

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H19ClN2O2/c1-2-19-11-14(18)17-8-6-16(7-9-17)13-5-3-4-12(15)10-13/h3-5,10H,2,6-9,11H2,1H3
InChIKeyDGBFRCGWRMUYGD-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.03
Rot. Bonds4

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethoxyethanone

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethoxyethanone (PubChem CID 2162986) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethoxyethanone.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethoxyethanone
PubChem CID2162986
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H19ClN2O2/c1-2-19-11-14(18)17-8-6-16(7-9-17)13-5-3-4-12(15)10-13/h3-5,10H,2,6-9,11H2,1H3
InChIKeyDGBFRCGWRMUYGD-UHFFFAOYSA-N
XLogP2.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethoxyethanone 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-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethoxyethanone?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethoxyethanone (CID 2162986) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethoxyethanone.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethoxyethanone?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethoxyethanone is CCOCC(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethoxyethanone?
The InChIKey is DGBFRCGWRMUYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-19-11-14(18)17-8-6-16(7-9-17)13-5-3-4-12(15)10-13/h3-5,10H,2,6-9,11H2,1H3.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethoxyethanone?
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethoxyethanone has a molecular weight of 282.77 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethoxyethanone is sourced from PubChem (CID 2162986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).