[5-fluoro-1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite

C9H15FINO3 — CID 121246756

IUPAC[5-fluoro-1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite
SMILESCC1(C)CN(C(=O)CO)CC(F)C1OI
InChIInChI=1S/C9H15FINO3/c1-9(2)5-12(7(14)4-13)3-6(10)8(9)15-11/h6,8,13H,3-5H2,1-2H3
InChIKeyVLKKYKPCAWRECT-UHFFFAOYSA-N
MW331.13 g/mol
LogP0.92
Rot. Bonds2

About [5-fluoro-1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite

[5-fluoro-1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite (PubChem CID 121246756) has the molecular formula C9H15FINO3 and a molecular weight of 331.13 g/mol. Its IUPAC name is [5-fluoro-1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite.

Molecular Properties

Compound Name[5-fluoro-1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite
PubChem CID121246756
Molecular FormulaC9H15FINO3
Molecular Weight331.13 g/mol
Exact Mass331.01
IUPAC Name[5-fluoro-1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite
SMILESCC1(C)CN(C(=O)CO)CC(F)C1OI
InChIInChI=1S/C9H15FINO3/c1-9(2)5-12(7(14)4-13)3-6(10)8(9)15-11/h6,8,13H,3-5H2,1-2H3
InChIKeyVLKKYKPCAWRECT-UHFFFAOYSA-N
XLogP0.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.13
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(4-fluoro-4-propan-2-ylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 89970284
1-(4-Tert-butylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one
CID 118084461
1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone
CID 118553731
1-[(3R,4R)-3-fluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone
CID 121246746
1-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone
CID 121246752
1-[(3S,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone
CID 121246753
[(2S,4S,5R)-5-fluoro-1-(2-hydroxyacetyl)-2-methylpiperidin-4-yl] hypoiodite
CID 121246763
[(3R,4R)-3-fluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite
CID 121246891
[(3R,4S)-3-fluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite
CID 121246892
[(4R)-3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite
CID 121246894
[(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite
CID 121246897
[(4S)-3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite
CID 121246905

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite?
The IUPAC name of [5-fluoro-1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite (CID 121246756) is [5-fluoro-1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite.
What is the SMILES notation for [5-fluoro-1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite?
The canonical SMILES for [5-fluoro-1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite is CC1(C)CN(C(=O)CO)CC(F)C1OI.
What is the InChIKey of [5-fluoro-1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite?
The InChIKey is VLKKYKPCAWRECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FINO3/c1-9(2)5-12(7(14)4-13)3-6(10)8(9)15-11/h6,8,13H,3-5H2,1-2H3.
What are the key properties of [5-fluoro-1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite?
[5-fluoro-1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite has a molecular weight of 331.13 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite is sourced from PubChem (CID 121246756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).