2-(3-chloro-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one

C13H16ClFN2O2 — CID 63879337

IUPAC2-(3-chloro-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
SMILESCC(Oc1ccc(F)c(Cl)c1)C(=O)N1CCNCC1
InChIInChI=1S/C13H16ClFN2O2/c1-9(13(18)17-6-4-16-5-7-17)19-10-2-3-12(15)11(14)8-10/h2-3,8-9,16H,4-7H2,1H3
InChIKeyQCFFUZVUYRQSCN-UHFFFAOYSA-N
MW286.73 g/mol
LogP1.68
Rot. Bonds3

About 2-(3-chloro-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one

2-(3-chloro-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one (PubChem CID 63879337) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
PubChem CID63879337
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC Name2-(3-chloro-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
SMILESCC(Oc1ccc(F)c(Cl)c1)C(=O)N1CCNCC1
InChIInChI=1S/C13H16ClFN2O2/c1-9(13(18)17-6-4-16-5-7-17)19-10-2-3-12(15)11(14)8-10/h2-3,8-9,16H,4-7H2,1H3
InChIKeyQCFFUZVUYRQSCN-UHFFFAOYSA-N
XLogP1.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 83235034
2-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 24695297
2-(2-fluoro-5-methylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 64855022
2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112787311
2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112788400
1-(1,4-diazepan-1-yl)-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride
CID 119414831
2-(4-bromophenoxy)-1-(1,4-diazepan-1-yl)propan-1-one
CID 119418410
2-[4-(2-hydroxyethyl)phenoxy]-1-piperazin-1-ylpropan-1-one
CID 107708897
2-(5-chloro-2-nitrophenoxy)-1-piperazin-1-ylpropan-1-one
CID 62304501
2-(4-bromo-3,5-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 107724467
2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 78767959
2-(3,4-dichlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one
CID 56570508

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one (CID 63879337) is 2-(3-chloro-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one is CC(Oc1ccc(F)c(Cl)c1)C(=O)N1CCNCC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one?
The InChIKey is QCFFUZVUYRQSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c1-9(13(18)17-6-4-16-5-7-17)19-10-2-3-12(15)11(14)8-10/h2-3,8-9,16H,4-7H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one?
2-(3-chloro-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one has a molecular weight of 286.73 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 63879337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).