1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one

C21H25FN2O3 — CID 86925847

IUPAC1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one
SMILESCCOc1ccccc1N1CCN(C(=O)C(C)Oc2cccc(F)c2)CC1
InChIInChI=1S/C21H25FN2O3/c1-3-26-20-10-5-4-9-19(20)23-11-13-24(14-12-23)21(25)16(2)27-18-8-6-7-17(22)15-18/h4-10,15-16H,3,11-14H2,1-2H3
InChIKeyRWKUIUIPNJZNBG-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.34
Rot. Bonds6

About 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one

1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one (PubChem CID 86925847) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one
PubChem CID86925847
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one
SMILESCCOc1ccccc1N1CCN(C(=O)C(C)Oc2cccc(F)c2)CC1
InChIInChI=1S/C21H25FN2O3/c1-3-26-20-10-5-4-9-19(20)23-11-13-24(14-12-23)21(25)16(2)27-18-8-6-7-17(22)15-18/h4-10,15-16H,3,11-14H2,1-2H3
InChIKeyRWKUIUIPNJZNBG-UHFFFAOYSA-N
XLogP3.34
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 752975
1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one
CID 86925844
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 47031332
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113077388
2-(2,4-difluorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 17217725
(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 95133049
2-[4-[2-(3-fluorophenoxy)propanoyl]piperazin-1-yl]-6-(trifluoromethyl)benzonitrile
CID 68726262
2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 43001973
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 9430316
[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 3313073
(2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 1290925
2-(3-fluorophenoxy)-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060436

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one?
The IUPAC name of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one (CID 86925847) is 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one.
What is the SMILES notation for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one?
The canonical SMILES for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one is CCOc1ccccc1N1CCN(C(=O)C(C)Oc2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one?
The InChIKey is RWKUIUIPNJZNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-3-26-20-10-5-4-9-19(20)23-11-13-24(14-12-23)21(25)16(2)27-18-8-6-7-17(22)15-18/h4-10,15-16H,3,11-14H2,1-2H3.
What are the key properties of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one?
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one has a molecular weight of 372.44 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one is sourced from PubChem (CID 86925847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).