1-(4-ethoxy-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone

C9H15F2NO3 — CID 145052655

IUPAC1-(4-ethoxy-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone
SMILESCCOC1CCN(C(=O)CO)CC1(F)F
InChIInChI=1S/C9H15F2NO3/c1-2-15-7-3-4-12(8(14)5-13)6-9(7,10)11/h7,13H,2-6H2,1H3
InChIKeyGQEAYKRXHYLPTL-UHFFFAOYSA-N
MW223.22 g/mol
LogP0.25
Rot. Bonds3

About 1-(4-ethoxy-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone

1-(4-ethoxy-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone (PubChem CID 145052655) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is 1-(4-ethoxy-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(4-ethoxy-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone
PubChem CID145052655
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC Name1-(4-ethoxy-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone
SMILESCCOC1CCN(C(=O)CO)CC1(F)F
InChIInChI=1S/C9H15F2NO3/c1-2-15-7-3-4-12(8(14)5-13)6-9(7,10)11/h7,13H,2-6H2,1H3
InChIKeyGQEAYKRXHYLPTL-UHFFFAOYSA-N
XLogP0.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite
CID 121246888
[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl] hypoiodite
CID 121246761
1-[(4S)-3,3-difluoro-4-(2-iodoethoxy)piperidin-1-yl]propane-1,2-dione
CID 162572350
ethane;2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 143709835
(2S)-1-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2,3-dihydroxypropan-1-one
CID 129256181
2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;propane
CID 153363552
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate
CID 129256140
cyclopentyl-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)methanone
CID 162278259
2-hydroxy-1-(4-propylpiperidin-1-yl)ethanone
CID 143775534
1-(4-ethoxypiperidin-1-yl)propan-1-one
CID 53016317

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone?
The IUPAC name of 1-(4-ethoxy-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone (CID 145052655) is 1-(4-ethoxy-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(4-ethoxy-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(4-ethoxy-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone is CCOC1CCN(C(=O)CO)CC1(F)F.
What is the InChIKey of 1-(4-ethoxy-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone?
The InChIKey is GQEAYKRXHYLPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c1-2-15-7-3-4-12(8(14)5-13)6-9(7,10)11/h7,13H,2-6H2,1H3.
What are the key properties of 1-(4-ethoxy-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone?
1-(4-ethoxy-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone has a molecular weight of 223.22 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone is sourced from PubChem (CID 145052655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).