3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one

C20H23FN2O2 — CID 110109408

IUPAC3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(C2CNCCN2C(=O)CCc2ccccc2F)cc1
InChIInChI=1S/C20H23FN2O2/c1-25-17-9-6-16(7-10-17)19-14-22-12-13-23(19)20(24)11-8-15-4-2-3-5-18(15)21/h2-7,9-10,19,22H,8,11-14H2,1H3
InChIKeyGEBZCOIHAOFOTO-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.94
Rot. Bonds5

About 3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one

3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 110109408) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID110109408
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(C2CNCCN2C(=O)CCc2ccccc2F)cc1
InChIInChI=1S/C20H23FN2O2/c1-25-17-9-6-16(7-10-17)19-14-22-12-13-23(19)20(24)11-8-15-4-2-3-5-18(15)21/h2-7,9-10,19,22H,8,11-14H2,1H3
InChIKeyGEBZCOIHAOFOTO-UHFFFAOYSA-N
XLogP2.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 46421185
2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
CID 110109133
3-(2-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 82297474
3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 124983434
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 124958227
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 124940745
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 125013128
3-[2-[2-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 110109396
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylethanone
CID 125026813
3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 120735115
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 120737106
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 124983690

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 110109408) is 3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one is COc1ccc(C2CNCCN2C(=O)CCc2ccccc2F)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is GEBZCOIHAOFOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-25-17-9-6-16(7-10-17)19-14-22-12-13-23(19)20(24)11-8-15-4-2-3-5-18(15)21/h2-7,9-10,19,22H,8,11-14H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 342.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110109408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).