1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone

C19H21FN2O3 — CID 120736388

IUPAC1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)N2CCNCC2c2cccc(F)c2)cc1
InChIInChI=1S/C19H21FN2O3/c1-24-16-5-7-17(8-6-16)25-13-19(23)22-10-9-21-12-18(22)14-3-2-4-15(20)11-14/h2-8,11,18,21H,9-10,12-13H2,1H3
InChIKeyFVBKHAHOYFSTRL-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.39
Rot. Bonds5

About 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone (PubChem CID 120736388) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
PubChem CID120736388
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)N2CCNCC2c2cccc(F)c2)cc1
InChIInChI=1S/C19H21FN2O3/c1-24-16-5-7-17(8-6-16)25-13-19(23)22-10-9-21-12-18(22)14-3-2-4-15(20)11-14/h2-8,11,18,21H,9-10,12-13H2,1H3
InChIKeyFVBKHAHOYFSTRL-UHFFFAOYSA-N
XLogP2.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736085
2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120737774
2-(4-chlorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120737113
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 120737106
1-[2-(3-fluorophenyl)piperazin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 120735703
1-[2-(3-fluorophenyl)piperazin-1-yl]-4-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 120737651
1-[2-(3-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione
CID 120737260
2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone
CID 82251696
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone
CID 120803535
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride
CID 120736855
(2,4-dimethoxyphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736417
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 120736384

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone?
The IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone (CID 120736388) is 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone?
The canonical SMILES for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone is COc1ccc(OCC(=O)N2CCNCC2c2cccc(F)c2)cc1.
What is the InChIKey of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone?
The InChIKey is FVBKHAHOYFSTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-24-16-5-7-17(8-6-16)25-13-19(23)22-10-9-21-12-18(22)14-3-2-4-15(20)11-14/h2-8,11,18,21H,9-10,12-13H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone?
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone has a molecular weight of 344.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone is sourced from PubChem (CID 120736388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).