1-(3,4-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone

C16H24N2O — CID 63610782

IUPAC1-(3,4-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone
SMILESCc1ccc(C(=O)CN2CCN(C)C(C)C2)cc1C
InChIInChI=1S/C16H24N2O/c1-12-5-6-15(9-13(12)2)16(19)11-18-8-7-17(4)14(3)10-18/h5-6,9,14H,7-8,10-11H2,1-4H3
InChIKeyXUOGRGBJUYMIHP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.12
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone

1-(3,4-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone (PubChem CID 63610782) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone
PubChem CID63610782
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(3,4-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone
SMILESCc1ccc(C(=O)CN2CCN(C)C(C)C2)cc1C
InChIInChI=1S/C16H24N2O/c1-12-5-6-15(9-13(12)2)16(19)11-18-8-7-17(4)14(3)10-18/h5-6,9,14H,7-8,10-11H2,1-4H3
InChIKeyXUOGRGBJUYMIHP-UHFFFAOYSA-N
XLogP2.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylpiperazin-1-yl)-1-(4-hydroxyphenyl)ethanone
CID 63608714
1-(2,5-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone
CID 55215426
2-(3-aminopyrrolidin-1-yl)-1-(3,4-dimethylphenyl)ethanone
CID 56828796
2-(3,4-dimethylpiperazin-1-yl)-1-(2-methylphenyl)ethanone
CID 63610775
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(3,4-dimethylphenyl)ethanone
CID 63150899
2-[3-(diethylamino)pyrrolidin-1-yl]-1-(3,4-dimethylphenyl)ethanone
CID 63164662
2-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82857026
1-(3,4-dimethylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63635500
1-(3,4-dimethylphenyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 93026208
2-methyl-5-[2-(4-methylpiperazin-1-yl)acetyl]benzoic acid
CID 82052175
1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 82050236
4-[[(3S)-3,4-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 98533465

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone (CID 63610782) is 1-(3,4-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone is Cc1ccc(C(=O)CN2CCN(C)C(C)C2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone?
The InChIKey is XUOGRGBJUYMIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-5-6-15(9-13(12)2)16(19)11-18-8-7-17(4)14(3)10-18/h5-6,9,14H,7-8,10-11H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone?
1-(3,4-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 63610782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).