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

C18H19FN2O — CID 967095

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H19FN2O/c19-16-8-4-5-9-17(16)20-10-12-21(13-11-20)18(22)14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyQKAUKTGEEYWZLS-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.72
Rot. Bonds3

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

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 967095) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylethanone
PubChem CID967095
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H19FN2O/c19-16-8-4-5-9-17(16)20-10-12-21(13-11-20)18(22)14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyQKAUKTGEEYWZLS-UHFFFAOYSA-N
XLogP2.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylethanone (CID 967095) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is QKAUKTGEEYWZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-16-8-4-5-9-17(16)20-10-12-21(13-11-20)18(22)14-15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylethanone?
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 298.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 967095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).