2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone

C12H15F2N3O — CID 82482185

IUPAC2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(c2cc(F)ccc2F)CC1
InChIInChI=1S/C12H15F2N3O/c13-9-1-2-10(14)11(7-9)16-3-5-17(6-4-16)12(18)8-15/h1-2,7H,3-6,8,15H2
InChIKeyOTPTZMZFRAFTKN-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.57
Rot. Bonds2

About 2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone

2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone (PubChem CID 82482185) has the molecular formula C12H15F2N3O and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone
PubChem CID82482185
Molecular FormulaC12H15F2N3O
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(c2cc(F)ccc2F)CC1
InChIInChI=1S/C12H15F2N3O/c13-9-1-2-10(14)11(7-9)16-3-5-17(6-4-16)12(18)8-15/h1-2,7H,3-6,8,15H2
InChIKeyOTPTZMZFRAFTKN-UHFFFAOYSA-N
XLogP0.57
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119887909
4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120565643
2-(cyclopropylmethylamino)-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119887886
3-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 120504016
4-(2,5-difluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 109451122
2-[2-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one
CID 154738579
3-[4-(2,5-difluorophenyl)piperazin-1-yl]propan-1-amine
CID 82482240
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2,5-difluorobenzoate
CID 46925039
1-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119887891
1-[4-(2,4-difluorophenyl)piperazin-1-yl]butan-1-one
CID 113079847
2-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanol
CID 19837148
2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone
CID 4741095

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone (CID 82482185) is 2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone is NCC(=O)N1CCN(c2cc(F)ccc2F)CC1.
What is the InChIKey of 2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is OTPTZMZFRAFTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O/c13-9-1-2-10(14)11(7-9)16-3-5-17(6-4-16)12(18)8-15/h1-2,7H,3-6,8,15H2.
What are the key properties of 2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone?
2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 255.27 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 82482185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).