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

C20H23FN2O2 — CID 78788994

IUPAC2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C20H23FN2O2/c21-19-9-5-4-6-17(19)16-20(24)23-12-10-22(11-13-23)14-15-25-18-7-2-1-3-8-18/h1-9H,10-16H2
InChIKeyQPEUCXAVSGAWQX-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.59
Rot. Bonds6

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

2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone (PubChem CID 78788994) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
PubChem CID78788994
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C20H23FN2O2/c21-19-9-5-4-6-17(19)16-20(24)23-12-10-22(11-13-23)14-15-25-18-7-2-1-3-8-18/h1-9H,10-16H2
InChIKeyQPEUCXAVSGAWQX-UHFFFAOYSA-N
XLogP2.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-phenoxyethanone
CID 110602312
1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 43251243
4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 119833017
4,4,4-trifluoro-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 70730336
2-(2,3-dihydro-1H-inden-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 17421094
2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638301
1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-propan-2-ylsulfanylethanone
CID 91788757
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113074785
2-(4-chlorophenoxy)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 110412047
2-(4-chlorophenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638356
1-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 86977371

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone (CID 78788994) is 2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone is O=C(Cc1ccccc1F)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
The InChIKey is QPEUCXAVSGAWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-19-9-5-4-6-17(19)16-20(24)23-12-10-22(11-13-23)14-15-25-18-7-2-1-3-8-18/h1-9H,10-16H2.
What are the key properties of 2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone has a molecular weight of 342.41 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 78788994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).