2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone

C15H22N2O2 — CID 82090895

IUPAC2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone
SMILESCCc1ccc(OC)c(CC(=O)N2CCNCC2)c1
InChIInChI=1S/C15H22N2O2/c1-3-12-4-5-14(19-2)13(10-12)11-15(18)17-8-6-16-7-9-17/h4-5,10,16H,3,6-9,11H2,1-2H3
InChIKeyCHJKMAFMSKFASU-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.23
Rot. Bonds4

About 2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone

2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone (PubChem CID 82090895) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone
PubChem CID82090895
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone
SMILESCCc1ccc(OC)c(CC(=O)N2CCNCC2)c1
InChIInChI=1S/C15H22N2O2/c1-3-12-4-5-14(19-2)13(10-12)11-15(18)17-8-6-16-7-9-17/h4-5,10,16H,3,6-9,11H2,1-2H3
InChIKeyCHJKMAFMSKFASU-UHFFFAOYSA-N
XLogP1.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82087911
2-(4-ethyl-2-methoxyphenoxy)-1-piperazin-1-ylethanone
CID 107664987
2-(5-tert-butyl-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82134931
2-(3-bromo-4-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82135497
2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone
CID 141462350
3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one
CID 82133342
1-(5-ethyl-2-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine
CID 115229991
1-[(5-ethyl-2-methoxyphenyl)methyl]piperazin-2-one
CID 82296410
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
1-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]pentan-1-one
CID 110365843
1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone
CID 110767129
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone (CID 82090895) is 2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone is CCc1ccc(OC)c(CC(=O)N2CCNCC2)c1.
What is the InChIKey of 2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone?
The InChIKey is CHJKMAFMSKFASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-12-4-5-14(19-2)13(10-12)11-15(18)17-8-6-16-7-9-17/h4-5,10,16H,3,6-9,11H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone?
2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone has a molecular weight of 262.35 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 82090895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).