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

C13H19N3O — CID 16773079

IUPAC2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cc2ccc(N)cc2)CC1
InChIInChI=1S/C13H19N3O/c1-15-6-8-16(9-7-15)13(17)10-11-2-4-12(14)5-3-11/h2-5H,6-10,14H2,1H3
InChIKeyAJGWCRWPCTVETH-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.59
Rot. Bonds2

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

2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 16773079) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID16773079
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cc2ccc(N)cc2)CC1
InChIInChI=1S/C13H19N3O/c1-15-6-8-16(9-7-15)13(17)10-11-2-4-12(14)5-3-11/h2-5H,6-10,14H2,1H3
InChIKeyAJGWCRWPCTVETH-UHFFFAOYSA-N
XLogP0.59
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 884392
2-(4-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 119849520
2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119843176
2-(4-aminophenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 60964119
1-(4-methylpiperazin-1-yl)-2-(4-methylsulfonylphenyl)ethanone
CID 110771273
1-(4-methylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone
CID 110771209
2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 62936167
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
4-[2-(4-aminophenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 119718562
2-(4-aminophenyl)-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]ethanone
CID 119878570
2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826832
2-(4-aminophenyl)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 119836881

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone (CID 16773079) is 2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)Cc2ccc(N)cc2)CC1.
What is the InChIKey of 2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is AJGWCRWPCTVETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15-6-8-16(9-7-15)13(17)10-11-2-4-12(14)5-3-11/h2-5H,6-10,14H2,1H3.
What are the key properties of 2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 233.31 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 16773079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).