2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone

C17H22FNO3 — CID 95316685

IUPAC2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESCC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1F
InChIInChI=1S/C17H22FNO3/c1-11-5-4-6-12(2)19(11)17(21)10-22-14-7-8-15(13(3)20)16(18)9-14/h7-9,11-12H,4-6,10H2,1-3H3/t11-,12-/m1/s1
InChIKeyWHMJMPZSNQICDU-VXGBXAGGSA-N
MW307.37 g/mol
LogP3.20
Rot. Bonds4

About 2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone

2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone (PubChem CID 95316685) has the molecular formula C17H22FNO3 and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
PubChem CID95316685
Molecular FormulaC17H22FNO3
Molecular Weight307.37 g/mol
Exact Mass307.16
IUPAC Name2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESCC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1F
InChIInChI=1S/C17H22FNO3/c1-11-5-4-6-12(2)19(11)17(21)10-22-14-7-8-15(13(3)20)16(18)9-14/h7-9,11-12H,4-6,10H2,1-3H3/t11-,12-/m1/s1
InChIKeyWHMJMPZSNQICDU-VXGBXAGGSA-N
XLogP3.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 769399
2-fluoro-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
CID 107675285
1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone
CID 110755902
2-(2,4-difluorophenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 42891275
3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
CID 16769713
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103715025
ethyl 2-(4-acetyl-3-fluorophenoxy)acetate
CID 69405523
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 78760343
3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzonitrile
CID 7964565
1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone
CID 103907370
2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methylbenzamide
CID 46681061
1-(2,6-dimethylpiperidin-1-yl)-2-(3-nitrophenoxy)ethanone
CID 78762245

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone (CID 95316685) is 2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone is CC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1F.
What is the InChIKey of 2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
The InChIKey is WHMJMPZSNQICDU-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-11-5-4-6-12(2)19(11)17(21)10-22-14-7-8-15(13(3)20)16(18)9-14/h7-9,11-12H,4-6,10H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of 2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone has a molecular weight of 307.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 95316685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).