3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one

C13H16F2N2O — CID 83925483

IUPAC3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCc1cccc(F)c1F)N1CCNCC1
InChIInChI=1S/C13H16F2N2O/c14-11-3-1-2-10(13(11)15)4-5-12(18)17-8-6-16-7-9-17/h1-3,16H,4-9H2
InChIKeySLWWGVXCWNCSJG-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.33
Rot. Bonds3

About 3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one

3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one (PubChem CID 83925483) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one
PubChem CID83925483
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCc1cccc(F)c1F)N1CCNCC1
InChIInChI=1S/C13H16F2N2O/c14-11-3-1-2-10(13(11)15)4-5-12(18)17-8-6-16-7-9-17/h1-3,16H,4-9H2
InChIKeySLWWGVXCWNCSJG-UHFFFAOYSA-N
XLogP1.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119402946
3-(2,3-difluorophenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119560045
1-(1,4-diazepan-1-yl)-3-(2,6-difluorophenyl)propan-1-one
CID 83925366
3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane
CID 143559381
4-(2,3-difluorophenyl)-1-piperazin-1-ylpentan-1-one
CID 83925488
3-(1,3-benzodioxol-4-yl)-1-piperazin-1-ylpropan-1-one
CID 110833385
3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82134878
2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone
CID 81268372
3-(2,3-difluorophenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386108
1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 9429043
3-(2-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110666015
3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 110833337

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one (CID 83925483) is 3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one is O=C(CCc1cccc(F)c1F)N1CCNCC1.
What is the InChIKey of 3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is SLWWGVXCWNCSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c14-11-3-1-2-10(13(11)15)4-5-12(18)17-8-6-16-7-9-17/h1-3,16H,4-9H2.
What are the key properties of 3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one?
3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 254.28 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 83925483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).