1-(2,6-dimethylpiperidin-1-yl)-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]ethanone

C17H24FNO4 — CID 112788184

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]ethanone
SMILESCC1CCCC(C)N1C(=O)COc1c(CO)cc(F)cc1CO
InChIInChI=1S/C17H24FNO4/c1-11-4-3-5-12(2)19(11)16(22)10-23-17-13(8-20)6-15(18)7-14(17)9-21/h6-7,11-12,20-21H,3-5,8-10H2,1-2H3
InChIKeyJSKCKVCKJYRGKO-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.98
Rot. Bonds5

About 1-(2,6-dimethylpiperidin-1-yl)-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]ethanone (PubChem CID 112788184) has the molecular formula C17H24FNO4 and a molecular weight of 325.38 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]ethanone
PubChem CID112788184
Molecular FormulaC17H24FNO4
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]ethanone
SMILESCC1CCCC(C)N1C(=O)COc1c(CO)cc(F)cc1CO
InChIInChI=1S/C17H24FNO4/c1-11-4-3-5-12(2)19(11)16(22)10-23-17-13(8-20)6-15(18)7-14(17)9-21/h6-7,11-12,20-21H,3-5,8-10H2,1-2H3
InChIKeyJSKCKVCKJYRGKO-UHFFFAOYSA-N
XLogP1.98
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dimethylpiperidin-1-yl)-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]ethanone with MolForge

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Related Compounds

1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 769399
2-(2,4-difluorophenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 42891275
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 1293391
2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 95316685
1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone
CID 110755902
[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 7788862
3-chloro-4-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-5-methoxybenzonitrile
CID 7893254
2-[2-(aminomethyl)phenoxy]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 30080646
3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
CID 16769713
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate
CID 2357974
3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzonitrile
CID 7964565
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 78760343

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]ethanone (CID 112788184) is 1-(2,6-dimethylpiperidin-1-yl)-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]ethanone is CC1CCCC(C)N1C(=O)COc1c(CO)cc(F)cc1CO.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]ethanone?
The InChIKey is JSKCKVCKJYRGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO4/c1-11-4-3-5-12(2)19(11)16(22)10-23-17-13(8-20)6-15(18)7-14(17)9-21/h6-7,11-12,20-21H,3-5,8-10H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]ethanone has a molecular weight of 325.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]ethanone is sourced from PubChem (CID 112788184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).