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

C18H18F2N2O — CID 797923

IUPAC2-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18F2N2O/c19-15-3-1-14(2-4-15)13-18(23)22-11-9-21(10-12-22)17-7-5-16(20)6-8-17/h1-8H,9-13H2
InChIKeyDBSGXBBCVSTXKJ-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.86
Rot. Bonds3

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

2-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 797923) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID797923
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC Name2-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18F2N2O/c19-15-3-1-14(2-4-15)13-18(23)22-11-9-21(10-12-22)17-7-5-16(20)6-8-17/h1-8H,9-13H2
InChIKeyDBSGXBBCVSTXKJ-UHFFFAOYSA-N
XLogP2.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (CID 797923) is 2-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is DBSGXBBCVSTXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O/c19-15-3-1-14(2-4-15)13-18(23)22-11-9-21(10-12-22)17-7-5-16(20)6-8-17/h1-8H,9-13H2.
What are the key properties of 2-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 316.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 797923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).