1-[4-[(4-methylpiperazin-1-yl)amino]phenyl]ethanone

C13H19N3O — CID 114468369

IUPAC1-[4-[(4-methylpiperazin-1-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(NN2CCN(C)CC2)cc1
InChIInChI=1S/C13H19N3O/c1-11(17)12-3-5-13(6-4-12)14-16-9-7-15(2)8-10-16/h3-6,14H,7-10H2,1-2H3
InChIKeyRUWFTJGLHWFDSU-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.46
Rot. Bonds3

About 1-[4-[(4-methylpiperazin-1-yl)amino]phenyl]ethanone

1-[4-[(4-methylpiperazin-1-yl)amino]phenyl]ethanone (PubChem CID 114468369) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[4-[(4-methylpiperazin-1-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-methylpiperazin-1-yl)amino]phenyl]ethanone
PubChem CID114468369
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[4-[(4-methylpiperazin-1-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(NN2CCN(C)CC2)cc1
InChIInChI=1S/C13H19N3O/c1-11(17)12-3-5-13(6-4-12)14-16-9-7-15(2)8-10-16/h3-6,14H,7-10H2,1-2H3
InChIKeyRUWFTJGLHWFDSU-UHFFFAOYSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(4-methylpiperazin-1-yl)amino]phenyl]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-[4-[(4-methylpiperazin-1-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(4-methylpiperazin-1-yl)amino]phenyl]ethanone (CID 114468369) is 1-[4-[(4-methylpiperazin-1-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-methylpiperazin-1-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4-methylpiperazin-1-yl)amino]phenyl]ethanone is CC(=O)c1ccc(NN2CCN(C)CC2)cc1.
What is the InChIKey of 1-[4-[(4-methylpiperazin-1-yl)amino]phenyl]ethanone?
The InChIKey is RUWFTJGLHWFDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-11(17)12-3-5-13(6-4-12)14-16-9-7-15(2)8-10-16/h3-6,14H,7-10H2,1-2H3.
What are the key properties of 1-[4-[(4-methylpiperazin-1-yl)amino]phenyl]ethanone?
1-[4-[(4-methylpiperazin-1-yl)amino]phenyl]ethanone has a molecular weight of 233.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylpiperazin-1-yl)amino]phenyl]ethanone is sourced from PubChem (CID 114468369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).