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

C18H19FN2O — CID 51363004

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone
SMILESO=C(CN1CCN(c2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C18H19FN2O/c19-16-8-4-5-9-17(16)21-12-10-20(11-13-21)14-18(22)15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyUDLPCGNKPUBZGG-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.83
Rot. Bonds4

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

2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone (PubChem CID 51363004) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone
PubChem CID51363004
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone
SMILESO=C(CN1CCN(c2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C18H19FN2O/c19-16-8-4-5-9-17(16)21-12-10-20(11-13-21)14-18(22)15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyUDLPCGNKPUBZGG-UHFFFAOYSA-N
XLogP2.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 82071237
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-6-yl)ethanone
CID 5309171
2-[4-(2-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 63570220
N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150835
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride
CID 53346983
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137
1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 2982236
1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone chloride
CID 53351715
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanone
CID 110655403
1-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 51363182

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone (CID 51363004) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone is O=C(CN1CCN(c2ccccc2F)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone?
The InChIKey is UDLPCGNKPUBZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-16-8-4-5-9-17(16)21-12-10-20(11-13-21)14-18(22)15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone?
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone has a molecular weight of 298.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone is sourced from PubChem (CID 51363004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).