1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone

C20H23FN2O — CID 110290610

IUPAC1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN2O/c21-19-8-6-17(7-9-19)10-11-22-12-14-23(15-13-22)20(24)16-18-4-2-1-3-5-18/h1-9H,10-16H2
InChIKeyVBKFERMWLBNHJR-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.76
Rot. Bonds5

About 1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone

1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone (PubChem CID 110290610) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
PubChem CID110290610
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN2O/c21-19-8-6-17(7-9-19)10-11-22-12-14-23(15-13-22)20(24)16-18-4-2-1-3-5-18/h1-9H,10-16H2
InChIKeyVBKFERMWLBNHJR-UHFFFAOYSA-N
XLogP2.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 110412042
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
3-(4-fluorophenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]butan-1-one
CID 55924108
2-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 37404080
2-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110290620
2-[4-[2-(4-benzylpiperazin-1-yl)ethyl]phenyl]-1-thiomorpholin-4-ylethanone;dihydrochloride
CID 70468668
2-(2-methylphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 17145715
3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982352
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 43251745
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110290585
N-benzyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 55682732

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone (CID 110290610) is 1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is VBKFERMWLBNHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c21-19-8-6-17(7-9-19)10-11-22-12-14-23(15-13-22)20(24)16-18-4-2-1-3-5-18/h1-9H,10-16H2.
What are the key properties of 1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone?
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 326.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 110290610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).