1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one

C22H28N2O2 — CID 120734991

IUPAC1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one
SMILESCOc1ccccc1C1CNCCN1C(=O)CCCc1ccc(C)cc1
InChIInChI=1S/C22H28N2O2/c1-17-10-12-18(13-11-17)6-5-9-22(25)24-15-14-23-16-20(24)19-7-3-4-8-21(19)26-2/h3-4,7-8,10-13,20,23H,5-6,9,14-16H2,1-2H3
InChIKeyMJXWZQCXSGYBCG-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.50
Rot. Bonds6

About 1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one

1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one (PubChem CID 120734991) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one
PubChem CID120734991
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one
SMILESCOc1ccccc1C1CNCCN1C(=O)CCCc1ccc(C)cc1
InChIInChI=1S/C22H28N2O2/c1-17-10-12-18(13-11-17)6-5-9-22(25)24-15-14-23-16-20(24)19-7-3-4-8-21(19)26-2/h3-4,7-8,10-13,20,23H,5-6,9,14-16H2,1-2H3
InChIKeyMJXWZQCXSGYBCG-UHFFFAOYSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 120735115
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 120733025
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 120733090
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 120733673
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutan-1-one;hydrochloride
CID 120733635
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 120734985
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120734946
2-(2-methoxy-5-methylphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120734683
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 120735113
2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120735094
1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 120733310
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one?
The IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one (CID 120734991) is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one?
The canonical SMILES for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one is COc1ccccc1C1CNCCN1C(=O)CCCc1ccc(C)cc1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one?
The InChIKey is MJXWZQCXSGYBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17-10-12-18(13-11-17)6-5-9-22(25)24-15-14-23-16-20(24)19-7-3-4-8-21(19)26-2/h3-4,7-8,10-13,20,23H,5-6,9,14-16H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one?
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one has a molecular weight of 352.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one is sourced from PubChem (CID 120734991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).