1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone

C15H22N2O2 — CID 4636229

IUPAC1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
SMILESCCN1CCN(C(=O)COc2cccc(C)c2)CC1
InChIInChI=1S/C15H22N2O2/c1-3-16-7-9-17(10-8-16)15(18)12-19-14-6-4-5-13(2)11-14/h4-6,11H,3,7-10,12H2,1-2H3
InChIKeyBUDHNGDINKTLQE-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.54
Rot. Bonds4

About 1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone

1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone (PubChem CID 4636229) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
PubChem CID4636229
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
SMILESCCN1CCN(C(=O)COc2cccc(C)c2)CC1
InChIInChI=1S/C15H22N2O2/c1-3-16-7-9-17(10-8-16)15(18)12-19-14-6-4-5-13(2)11-14/h4-6,11H,3,7-10,12H2,1-2H3
InChIKeyBUDHNGDINKTLQE-UHFFFAOYSA-N
XLogP1.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 892980
1-[4-[2-(3-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796496
2-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440445
1-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-2-phenoxyethanone
CID 110638206
4-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-4-oxobutanoic acid
CID 2050307
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 704351
2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119402543
2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 1360908
tert-butyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 110673124
4-[4-[2-(3-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoic acid
CID 2050329
2-(3-methylphenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 17013748
3-methyl-1-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]butan-1-one;oxalic acid
CID 171154691

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone (CID 4636229) is 1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone is CCN1CCN(C(=O)COc2cccc(C)c2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone?
The InChIKey is BUDHNGDINKTLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-16-7-9-17(10-8-16)15(18)12-19-14-6-4-5-13(2)11-14/h4-6,11H,3,7-10,12H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone?
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone is sourced from PubChem (CID 4636229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).