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

C20H23FN2O — CID 120741031

IUPAC1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCCc1ccc(C2CNCCN2C(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O/c1-2-15-3-7-17(8-4-15)19-14-22-11-12-23(19)20(24)13-16-5-9-18(21)10-6-16/h3-10,19,22H,2,11-14H2,1H3
InChIKeyFWNWWVVDKWTAOR-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.10
Rot. Bonds4

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

1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 120741031) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID120741031
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCCc1ccc(C2CNCCN2C(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O/c1-2-15-3-7-17(8-4-15)19-14-22-11-12-23(19)20(24)13-16-5-9-18(21)10-6-16/h3-10,19,22H,2,11-14H2,1H3
InChIKeyFWNWWVVDKWTAOR-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
CID 120741686
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
CID 120741414
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 120739990
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone
CID 120741179
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 120741698
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 120740374
N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 120740529
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride
CID 120740892
2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
CID 120741617
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
N-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120741447

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone (CID 120741031) is 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone is CCc1ccc(C2CNCCN2C(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is FWNWWVVDKWTAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-2-15-3-7-17(8-4-15)19-14-22-11-12-23(19)20(24)13-16-5-9-18(21)10-6-16/h3-10,19,22H,2,11-14H2,1H3.
What are the key properties of 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 326.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 120741031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).