1-(2-methoxy-4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone

C17H26N2O2 — CID 63634972

IUPAC1-(2-methoxy-4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
SMILESCOc1cc(C)ccc1C(=O)CN1CCN(C)C(C)(C)C1
InChIInChI=1S/C17H26N2O2/c1-13-6-7-14(16(10-13)21-5)15(20)11-19-9-8-18(4)17(2,3)12-19/h6-7,10H,8-9,11-12H2,1-5H3
InChIKeyHFRWOVOJOAPCKB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.21
Rot. Bonds4

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

1-(2-methoxy-4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone (PubChem CID 63634972) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
PubChem CID63634972
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(2-methoxy-4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
SMILESCOc1cc(C)ccc1C(=O)CN1CCN(C)C(C)(C)C1
InChIInChI=1S/C17H26N2O2/c1-13-6-7-14(16(10-13)21-5)15(20)11-19-9-8-18(4)17(2,3)12-19/h6-7,10H,8-9,11-12H2,1-5H3
InChIKeyHFRWOVOJOAPCKB-UHFFFAOYSA-N
XLogP2.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429
2-(4-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 81103470
1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone
CID 62050975
1-(3-bromo-4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63634797
1-(4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63633759
1-(3,4-dimethylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63635500
2-(3,3-dimethylmorpholin-4-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 61433090
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 43794292
1-(5-fluoro-2-hydroxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63634102
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-methoxy-4-methylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102960506

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone (CID 63634972) is 1-(2-methoxy-4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone is COc1cc(C)ccc1C(=O)CN1CCN(C)C(C)(C)C1.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone?
The InChIKey is HFRWOVOJOAPCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-6-7-14(16(10-13)21-5)15(20)11-19-9-8-18(4)17(2,3)12-19/h6-7,10H,8-9,11-12H2,1-5H3.
What are the key properties of 1-(2-methoxy-4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone?
1-(2-methoxy-4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.21, 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-(3,3,4-trimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 63634972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).