2-(3,4-dihydroxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone

C20H24N2O3 — CID 113199055

IUPAC2-(3,4-dihydroxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)c1C
InChIInChI=1S/C20H24N2O3/c1-14-4-3-5-17(15(14)2)21-8-10-22(11-9-21)20(25)13-16-6-7-18(23)19(24)12-16/h3-7,12,23-24H,8-11,13H2,1-2H3
InChIKeyUHCUHVQBRRBQEG-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.61
Rot. Bonds3

About 2-(3,4-dihydroxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone

2-(3,4-dihydroxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone (PubChem CID 113199055) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
PubChem CID113199055
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-(3,4-dihydroxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)c1C
InChIInChI=1S/C20H24N2O3/c1-14-4-3-5-17(15(14)2)21-8-10-22(11-9-21)20(25)13-16-6-7-18(23)19(24)12-16/h3-7,12,23-24H,8-11,13H2,1-2H3
InChIKeyUHCUHVQBRRBQEG-UHFFFAOYSA-N
XLogP2.61
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxy-4-methylphenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 146087246
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
2-(2,6-dichlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 2669186
1-(4-acetylpiperazin-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propane-1,3-dione
CID 108944891
2-amino-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119828409
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 3283433
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 5308589
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112994487
3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 2620881
2-(4-acetylpiperazin-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 108996074
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile
CID 4188285
2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 9153668

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone (CID 113199055) is 2-(3,4-dihydroxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone is Cc1cccc(N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)c1C.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
The InChIKey is UHCUHVQBRRBQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-4-3-5-17(15(14)2)21-8-10-22(11-9-21)20(25)13-16-6-7-18(23)19(24)12-16/h3-7,12,23-24H,8-11,13H2,1-2H3.
What are the key properties of 2-(3,4-dihydroxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
2-(3,4-dihydroxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone has a molecular weight of 340.42 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 113199055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).