1,1-Dimethyl-4-oxopiperidinium iodide

HCID 422966

Notes Reactions

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Basic information

CAS: 131703-79-2
Standard SMILES: C[N+]1(C)CCC(=O)CC1
InChIKey: XFTOTHNHXWGHQR-UHFFFAOYSA-N
Molecular formula: C7H14NO+
Average molar mass: 128.19 g/mol
Monoisotopic mass: 128.10753907

Names & identifiers

Preferred name: 1,1-Dimethyl-4-oxopiperidinium iodide
IUPAC: 1,1-dimethylpiperidin-1-ium-4-one

Names & synonyms

DTXSID303297111,1-dimethyl-4-oxopiperidinium iodide131703-79-2RefChem:213768DTXCID402808091,1-dimethyl-4-oxopiperidin-1-iumSCHEMBL4441326

Database identifiers

CAS: 131703-79-2
PubChem CID: 422966
DTXSID: DTXSID30329711
Nikkaji: J731.442F

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 1
Complexity: 117

Related reactions

5 records

New reaction record

HRID 165246 reaction equation

HRID 165246As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 824505 reaction equation

HRID 824505As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1121447 reaction equation

HRID 1121447As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1225855 reaction equation

HRID 1225855As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1553705 reaction equation

HRID 1553705As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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