2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone

C16H24N2O — CID 116920016

IUPAC2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CC2CN(C)CCN2)c(C)c1
InChIInChI=1S/C16H24N2O/c1-11-7-12(2)16(13(3)8-11)15(19)9-14-10-18(4)6-5-17-14/h7-8,14,17H,5-6,9-10H2,1-4H3
InChIKeyJMMODQDMHZYARM-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.09
Rot. Bonds3

About 2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone

2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 116920016) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID116920016
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CC2CN(C)CCN2)c(C)c1
InChIInChI=1S/C16H24N2O/c1-11-7-12(2)16(13(3)8-11)15(19)9-14-10-18(4)6-5-17-14/h7-8,14,17H,5-6,9-10H2,1-4H3
InChIKeyJMMODQDMHZYARM-UHFFFAOYSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylpiperazin-2-yl)-1-phenylethanone
CID 116919993
1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 115238665
1-(3,4-difluorophenyl)-2-(4-methylpiperazin-2-yl)ethanone
CID 116920019
3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 82285679
1-(5-bromo-2-fluorophenyl)-2-(4-methylpiperazin-2-yl)ethanone
CID 116920030
2-(4-methylpiperazin-2-yl)-1-pyridin-2-ylethanone
CID 116920037
1-(2-fluoro-4,6-dimethylphenyl)-2-pyrrolidin-2-ylethanone
CID 106883000
2-(4-methylpiperazin-2-yl)-1-pyridin-3-ylethanone
CID 116920038
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
CID 106883102
1-methyl-3-(2,4,6-trimethylphenyl)piperazine
CID 82114107
3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1-methylpiperazine
CID 116928311
N-[(2,4-dimethylphenyl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
CID 115239412

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone (CID 116920016) is 2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CC2CN(C)CCN2)c(C)c1.
What is the InChIKey of 2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is JMMODQDMHZYARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-7-12(2)16(13(3)8-11)15(19)9-14-10-18(4)6-5-17-14/h7-8,14,17H,5-6,9-10H2,1-4H3.
What are the key properties of 2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone?
2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 116920016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).