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

C15H22N2O — CID 63610775

IUPAC2-(3,4-dimethylpiperazin-1-yl)-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)CN1CCN(C)C(C)C1
InChIInChI=1S/C15H22N2O/c1-12-6-4-5-7-14(12)15(18)11-17-9-8-16(3)13(2)10-17/h4-7,13H,8-11H2,1-3H3
InChIKeyUXBXPEULHZYHCQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.81
Rot. Bonds3

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

2-(3,4-dimethylpiperazin-1-yl)-1-(2-methylphenyl)ethanone (PubChem CID 63610775) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperazin-1-yl)-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylpiperazin-1-yl)-1-(2-methylphenyl)ethanone
PubChem CID63610775
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(3,4-dimethylpiperazin-1-yl)-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)CN1CCN(C)C(C)C1
InChIInChI=1S/C15H22N2O/c1-12-6-4-5-7-14(12)15(18)11-17-9-8-16(3)13(2)10-17/h4-7,13H,8-11H2,1-3H3
InChIKeyUXBXPEULHZYHCQ-UHFFFAOYSA-N
XLogP1.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone
CID 55215426
2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 63608717
1-(3,4-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone
CID 63610782
1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone
CID 43794322
2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone
CID 43797125
2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone
CID 63622437
2-(3,4-dimethylpiperazin-1-yl)-1-(4-hydroxyphenyl)ethanone
CID 63608714
N-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]piperidine-3-carboxamide
CID 103196880
3,4-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 79181540
1-(2-methylphenyl)-2-(4-methylsulfanylazepan-1-yl)ethanone
CID 114237550
1-(2-methylphenyl)-2-(1,4-thiazepan-4-yl)ethanone
CID 62030884
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)ethanone
CID 102884755

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-1-(2-methylphenyl)ethanone (CID 63610775) is 2-(3,4-dimethylpiperazin-1-yl)-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylpiperazin-1-yl)-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-(3,4-dimethylpiperazin-1-yl)-1-(2-methylphenyl)ethanone is Cc1ccccc1C(=O)CN1CCN(C)C(C)C1.
What is the InChIKey of 2-(3,4-dimethylpiperazin-1-yl)-1-(2-methylphenyl)ethanone?
The InChIKey is UXBXPEULHZYHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-6-4-5-7-14(12)15(18)11-17-9-8-16(3)13(2)10-17/h4-7,13H,8-11H2,1-3H3.
What are the key properties of 2-(3,4-dimethylpiperazin-1-yl)-1-(2-methylphenyl)ethanone?
2-(3,4-dimethylpiperazin-1-yl)-1-(2-methylphenyl)ethanone has a molecular weight of 246.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperazin-1-yl)-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 63610775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).