1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone

C15H22N2O2 — CID 43794429

IUPAC1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1cc(C)ccc1C(=O)CN1CCN(C)CC1
InChIInChI=1S/C15H22N2O2/c1-12-4-5-13(15(10-12)19-3)14(18)11-17-8-6-16(2)7-9-17/h4-5,10H,6-9,11H2,1-3H3
InChIKeyOTHDEDJFOZOGFA-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.43
Rot. Bonds4

About 1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone

1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 43794429) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID43794429
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1cc(C)ccc1C(=O)CN1CCN(C)CC1
InChIInChI=1S/C15H22N2O2/c1-12-4-5-13(15(10-12)19-3)14(18)11-17-8-6-16(2)7-9-17/h4-5,10H,6-9,11H2,1-3H3
InChIKeyOTHDEDJFOZOGFA-UHFFFAOYSA-N
XLogP1.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93191408
1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone
CID 62050975
2-(4-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 81103470
1-(2-methoxy-4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63634972
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 43794292
2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-propan-2-yloxyphenyl)ethanone
CID 93192786
2-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 102960285
1-(2-methoxy-4-methylphenyl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960703
1-(2-butoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93192756
2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone
CID 93192801
1-(2-methoxy-4-methylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102960506
1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193340

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone (CID 43794429) is 1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone is COc1cc(C)ccc1C(=O)CN1CCN(C)CC1.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is OTHDEDJFOZOGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-4-5-13(15(10-12)19-3)14(18)11-17-8-6-16(2)7-9-17/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of 1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 43794429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).