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

C12H15FN2O — CID 690429

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C12H15FN2O/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3
InChIKeyUZEZNYRFOKQIKJ-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.49
Rot. Bonds1

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

1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 690429) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID690429
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C12H15FN2O/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3
InChIKeyUZEZNYRFOKQIKJ-UHFFFAOYSA-N
XLogP1.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (CID 690429) is 1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is UZEZNYRFOKQIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 222.26 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 690429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).