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

C13H17FN2O2 — CID 39256403

IUPAC3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCOc1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C13H17FN2O2/c14-11-1-3-12(4-2-11)18-10-5-13(17)16-8-6-15-7-9-16/h1-4,15H,5-10H2
InChIKeyJCVRYZOQJSNEHV-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.03
Rot. Bonds4

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

3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one (PubChem CID 39256403) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
PubChem CID39256403
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCOc1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C13H17FN2O2/c14-11-1-3-12(4-2-11)18-10-5-13(17)16-8-6-15-7-9-16/h1-4,15H,5-10H2
InChIKeyJCVRYZOQJSNEHV-UHFFFAOYSA-N
XLogP1.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-fluorophenoxy)propanoyl]-1,4-diazepan-5-one
CID 62045227
1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one
CID 82147379
2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone
CID 167771023
3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39257182
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-1-one
CID 134005471
3-(4-fluorophenoxy)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 62370418
4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39257144
4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284680
3-[(6-methyl-3-pyridinyl)oxy]-1-piperazin-1-ylpropan-1-one
CID 114608443
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(4-fluorophenoxy)propan-1-one
CID 119636122
4-(4-ethylphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284266
3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 2759326

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one (CID 39256403) is 3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one is O=C(CCOc1ccc(F)cc1)N1CCNCC1.
What is the InChIKey of 3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one?
The InChIKey is JCVRYZOQJSNEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-11-1-3-12(4-2-11)18-10-5-13(17)16-8-6-15-7-9-16/h1-4,15H,5-10H2.
What are the key properties of 3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one?
3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one has a molecular weight of 252.29 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 39256403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).