2-(4-ethylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

C20H23FN2O2 — CID 806713

IUPAC2-(4-ethylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESCCc1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C20H23FN2O2/c1-2-16-7-9-17(10-8-16)25-15-20(24)23-13-11-22(12-14-23)19-6-4-3-5-18(19)21/h3-10H,2,11-15H2,1H3
InChIKeyGMQGMKFIXCNYMT-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.12
Rot. Bonds5

About 2-(4-ethylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

2-(4-ethylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 806713) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID806713
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name2-(4-ethylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESCCc1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C20H23FN2O2/c1-2-16-7-9-17(10-8-16)25-15-20(24)23-13-11-22(12-14-23)19-6-4-3-5-18(19)21/h3-10H,2,11-15H2,1H3
InChIKeyGMQGMKFIXCNYMT-UHFFFAOYSA-N
XLogP3.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

AC-260584
CID 9928284
Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-
CID 3826471
4-(2-Piperidin-1-ylethyl)-7-propyl-1,4-benzoxazin-3-one
CID 59630032
N-(4-methylphenyl)-2-[methyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide
CID 4790602
1-[4-(4-Fluoro-phenyl)-butyl]-4-(2-methoxy-phenyl)-piperazine
CID 10593421
2-Methoxyfentanyl
CID 12741853
7-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10573576
4-Methyl-7-[4-[4-[3-(trifluoromethyl)phenyl]piperazino]butyl]-2H-1,4-benzoxazine-3(4H)-one
CID 10718277
4-Methyl-7-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-4H-benzo[1,4]oxazin-3-one
CID 10788207
7-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10809876
1-{4-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-benzyl}-piperidin-2-one
CID 11742940
1-(2-Methoxyphenyl)-4-(4-phenylbutyl)piperazine
CID 44276571

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-ethylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (CID 806713) is 2-(4-ethylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is CCc1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is GMQGMKFIXCNYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-2-16-7-9-17(10-8-16)25-15-20(24)23-13-11-22(12-14-23)19-6-4-3-5-18(19)21/h3-10H,2,11-15H2,1H3.
What are the key properties of 2-(4-ethylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
2-(4-ethylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 342.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 806713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).