2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone

C14H17BrFNO2 — CID 78767008

IUPAC2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C14H17BrFNO2/c1-10-4-2-3-7-17(10)14(18)9-19-13-6-5-11(16)8-12(13)15/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyMCTAZLXCOAFXEZ-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.37
Rot. Bonds3

About 2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone

2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 78767008) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID78767008
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Name2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C14H17BrFNO2/c1-10-4-2-3-7-17(10)14(18)9-19-13-6-5-11(16)8-12(13)15/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyMCTAZLXCOAFXEZ-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-(2-chloro-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 78767331
2-(2-bromo-5-fluorophenoxy)-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone
CID 172906952
2-(2-bromo-4-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 170456761
2-(2,4-dichlorophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 1103949
2-(2-bromo-4-fluorophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
CID 9472975
2-(4-acetyl-2-chlorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 102561626
2-(2-bromo-4-fluorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119488313
2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide
CID 112786473
2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 42885187
(3S)-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-3-carboxamide
CID 9406362
2-(2-fluoro-6-methoxyphenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 99634908
1-[2-(2,4-difluorophenoxy)acetyl]piperidine-2-carboxylic acid
CID 43355976

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone (CID 78767008) is 2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)COc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is MCTAZLXCOAFXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c1-10-4-2-3-7-17(10)14(18)9-19-13-6-5-11(16)8-12(13)15/h5-6,8,10H,2-4,7,9H2,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone?
2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone 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-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 78767008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).