2-(4-bromo-3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one

C14H17BrFNO2 — CID 65202836

IUPAC2-(4-bromo-3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
SMILESCC(Oc1ccc(Br)c(F)c1)C(=O)N1CCCCC1
InChIInChI=1S/C14H17BrFNO2/c1-10(14(18)17-7-3-2-4-8-17)19-11-5-6-12(15)13(16)9-11/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyMYBMVWJHIBXNCX-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.37
Rot. Bonds3

About 2-(4-bromo-3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one

2-(4-bromo-3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one (PubChem CID 65202836) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
PubChem CID65202836
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Name2-(4-bromo-3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
SMILESCC(Oc1ccc(Br)c(F)c1)C(=O)N1CCCCC1
InChIInChI=1S/C14H17BrFNO2/c1-10(14(18)17-7-3-2-4-8-17)19-11-5-6-12(15)13(16)9-11/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyMYBMVWJHIBXNCX-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112788400
2-(4-bromo-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 83133278
2-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoic acid
CID 107675551
2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 107720649
(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one
CID 7916276
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
1-(azepan-1-yl)-2-(5-bromo-2-fluorophenoxy)propan-1-one
CID 115918466
1-(azepan-1-yl)-2-(2-bromo-4-fluorophenoxy)propan-1-one
CID 43086571
2-(3-bromo-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 83235034
2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112787311
1-(azepan-1-yl)-2-(4-methylsulfanylphenoxy)propan-1-one
CID 86909547
1-(azepan-1-yl)-2-(4-bromo-3,5-dimethylphenoxy)propan-1-one
CID 107723487

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(4-bromo-3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one (CID 65202836) is 2-(4-bromo-3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(4-bromo-3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(4-bromo-3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one is CC(Oc1ccc(Br)c(F)c1)C(=O)N1CCCCC1.
What is the InChIKey of 2-(4-bromo-3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one?
The InChIKey is MYBMVWJHIBXNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c1-10(14(18)17-7-3-2-4-8-17)19-11-5-6-12(15)13(16)9-11/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 2-(4-bromo-3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one?
2-(4-bromo-3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one has a molecular weight of 330.20 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 65202836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).