2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone

C14H21N2O2+ — CID 4739078

IUPAC2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
SMILESCOc1ccccc1CC(=O)N1CC[NH+](C)CC1
InChIInChI=1S/C14H20N2O2/c1-15-7-9-16(10-8-15)14(17)11-12-5-3-4-6-13(12)18-2/h3-6H,7-11H2,1-2H3/p+1
InChIKeyGIGGQJMJVQWVHN-UHFFFAOYSA-O
MW249.33 g/mol
LogP-0.41
Rot. Bonds3

About 2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone

2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone (PubChem CID 4739078) has the molecular formula C14H21N2O2+ and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
PubChem CID4739078
Molecular FormulaC14H21N2O2+
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
SMILESCOc1ccccc1CC(=O)N1CC[NH+](C)CC1
InChIInChI=1S/C14H20N2O2/c1-15-7-9-16(10-8-15)14(17)11-12-5-3-4-6-13(12)18-2/h3-6H,7-11H2,1-2H3/p+1
InChIKeyGIGGQJMJVQWVHN-UHFFFAOYSA-O
XLogP-0.41
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
CID 694651
1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110818906
4-[2-(2-methoxyphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32501062
2-ethyl-1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one
CID 110818064
2-(2-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 6466814
1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55564611
1-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 55588565
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 81469940
1-[2-(2-methoxyphenyl)acetyl]-2,5-dihydropyrrole-3-carboxylic acid
CID 92601428
2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 38785944
2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 762691

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone (CID 4739078) is 2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone is COc1ccccc1CC(=O)N1CC[NH+](C)CC1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone?
The InChIKey is GIGGQJMJVQWVHN-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20N2O2/c1-15-7-9-16(10-8-15)14(17)11-12-5-3-4-6-13(12)18-2/h3-6H,7-11H2,1-2H3/p+1.
What are the key properties of 2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone?
2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone has a molecular weight of 249.33 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone is sourced from PubChem (CID 4739078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).