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

C9H16INO3 — CID 121246888

IUPAC[1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite
SMILESCC1(C)CN(C(=O)CO)CCC1OI
InChIInChI=1S/C9H16INO3/c1-9(2)6-11(8(13)5-12)4-3-7(9)14-10/h7,12H,3-6H2,1-2H3
InChIKeyNTJNYOSZBXZWDV-UHFFFAOYSA-N
MW313.14 g/mol
LogP0.97
Rot. Bonds2

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

[1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite (PubChem CID 121246888) has the molecular formula C9H16INO3 and a molecular weight of 313.14 g/mol. Its IUPAC name is [1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite.

Molecular Properties

Compound Name[1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite
PubChem CID121246888
Molecular FormulaC9H16INO3
Molecular Weight313.14 g/mol
Exact Mass313.02
IUPAC Name[1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite
SMILESCC1(C)CN(C(=O)CO)CCC1OI
InChIInChI=1S/C9H16INO3/c1-9(2)6-11(8(13)5-12)4-3-7(9)14-10/h7,12H,3-6H2,1-2H3
InChIKeyNTJNYOSZBXZWDV-UHFFFAOYSA-N
XLogP0.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 50.97
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

1-(4-ethoxy-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone
CID 145052655
[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl] hypoiodite
CID 121246761
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;propane
CID 153363552
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone;hydrochloride
CID 120814620
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
CID 115276675
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone
CID 115276536
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-butoxyethanone;hydrochloride
CID 120817634
1-(4-aminooxypiperidin-1-yl)-2-hydroxyethanone
CID 129267440
1-(6-azaspiro[3.5]nonan-6-yl)-2-hydroxyethanone
CID 130643020
ethane;2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 143709835

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite?
The IUPAC name of [1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite (CID 121246888) is [1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite.
What is the SMILES notation for [1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite?
The canonical SMILES for [1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite is CC1(C)CN(C(=O)CO)CCC1OI.
What is the InChIKey of [1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite?
The InChIKey is NTJNYOSZBXZWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16INO3/c1-9(2)6-11(8(13)5-12)4-3-7(9)14-10/h7,12H,3-6H2,1-2H3.
What are the key properties of [1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite?
[1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite has a molecular weight of 313.14 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite is sourced from PubChem (CID 121246888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).