1-(2,5-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone

C16H24N2O — CID 55215426

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

About 1-(2,5-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone

1-(2,5-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone (PubChem CID 55215426) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone
PubChem CID55215426
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(2,5-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone
SMILESCc1ccc(C)c(C(=O)CN2CCN(C)C(C)C2)c1
InChIInChI=1S/C16H24N2O/c1-12-5-6-13(2)15(9-12)16(19)11-18-8-7-17(4)14(3)10-18/h5-6,9,14H,7-8,10-11H2,1-4H3
InChIKeyGSZLTRTUUGMCST-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-(2-methylphenyl)ethanone
CID 63610775
1-(3,4-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone
CID 63610782
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2,5-dimethylphenyl)ethanone
CID 93026027
1-(2,5-dimethylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 112626432
1-(2,5-dimethylphenyl)-2-(4-methylazepan-1-yl)ethanone
CID 63622261
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2,5-dimethylphenyl)ethanone
CID 61445683
2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 63608717
2-(3,4-dimethylpiperazin-1-yl)-1-(4-hydroxyphenyl)ethanone
CID 63608714
1-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone
CID 110366584
2-(1,3-dihydroisoindol-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 62206452
1-(2,5-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836556
1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219443

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone (CID 55215426) is 1-(2,5-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone is Cc1ccc(C)c(C(=O)CN2CCN(C)C(C)C2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone?
The InChIKey is GSZLTRTUUGMCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-5-6-13(2)15(9-12)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-(2,5-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone?
1-(2,5-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-(2,5-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 55215426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).