2-(2-fluoro-6-methoxyphenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone

C15H20FNO3 — CID 99634908

IUPAC2-(2-fluoro-6-methoxyphenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
SMILESCOc1cccc(F)c1OCC(=O)N1CCCC[C@H]1C
InChIInChI=1S/C15H20FNO3/c1-11-6-3-4-9-17(11)14(18)10-20-15-12(16)7-5-8-13(15)19-2/h5,7-8,11H,3-4,6,9-10H2,1-2H3/t11-/m1/s1
InChIKeyFCNDVEFXLNZPJL-LLVKDONJSA-N
MW281.33 g/mol
LogP2.61
Rot. Bonds4

About 2-(2-fluoro-6-methoxyphenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone

2-(2-fluoro-6-methoxyphenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone (PubChem CID 99634908) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(2-fluoro-6-methoxyphenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluoro-6-methoxyphenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
PubChem CID99634908
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-(2-fluoro-6-methoxyphenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
SMILESCOc1cccc(F)c1OCC(=O)N1CCCC[C@H]1C
InChIInChI=1S/C15H20FNO3/c1-11-6-3-4-9-17(11)14(18)10-20-15-12(16)7-5-8-13(15)19-2/h5,7-8,11H,3-4,6,9-10H2,1-2H3/t11-/m1/s1
InChIKeyFCNDVEFXLNZPJL-LLVKDONJSA-N
XLogP2.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 4541588
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 16523934
2-(2-chloro-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 78767331
2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 78767008
2-(2-fluorophenoxy)-1-[3-(2-methylpiperidine-1-carbonyl)azetidin-1-yl]ethanone
CID 90512384
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 8551121
1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 112787708
2-(2-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 127119816
2-fluoro-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
CID 107675285
2-(2,4-dichlorophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 1103949
2-(2-chloro-6-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 25252634
2-(2-bromo-5-fluorophenoxy)-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone
CID 172906952

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methoxyphenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluoro-6-methoxyphenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone (CID 99634908) is 2-(2-fluoro-6-methoxyphenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluoro-6-methoxyphenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluoro-6-methoxyphenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone is COc1cccc(F)c1OCC(=O)N1CCCC[C@H]1C.
What is the InChIKey of 2-(2-fluoro-6-methoxyphenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
The InChIKey is FCNDVEFXLNZPJL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-11-6-3-4-9-17(11)14(18)10-20-15-12(16)7-5-8-13(15)19-2/h5,7-8,11H,3-4,6,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-(2-fluoro-6-methoxyphenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
2-(2-fluoro-6-methoxyphenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone has a molecular weight of 281.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-methoxyphenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 99634908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).