2-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone

C14H20N2O2 — CID 880785

IUPAC2-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1ccc(OCC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C14H20N2O2/c1-12-3-5-13(6-4-12)18-11-14(17)16-9-7-15(2)8-10-16/h3-6H,7-11H2,1-2H3
InChIKeyGIIIJZOPGUFGBF-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.15
Rot. Bonds3

About 2-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone

2-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 880785) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID880785
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1ccc(OCC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C14H20N2O2/c1-12-3-5-13(6-4-12)18-11-14(17)16-9-7-15(2)8-10-16/h3-6H,7-11H2,1-2H3
InChIKeyGIIIJZOPGUFGBF-UHFFFAOYSA-N
XLogP1.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylphenoxy)-1-(4-methylpiperazin-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 2-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone (CID 880785) is 2-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone is Cc1ccc(OCC(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is GIIIJZOPGUFGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-12-3-5-13(6-4-12)18-11-14(17)16-9-7-15(2)8-10-16/h3-6H,7-11H2,1-2H3.
What are the key properties of 2-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone?
2-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 880785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).