Basic information
- CAS
346699-60-3- Standard SMILES
CC1CCN(C(=O)c2ccccc2I)CC1- InChIKey
QDVPPDDHMMPGSD-UHFFFAOYSA-N- Molecular formula
- C13H16INO
- Average molar mass
- 329.18 g/mol
- Monoisotopic mass
- 329.02766
Names & identifiers
- Preferred name
- 2-Iodophenyl 4-methylpiperidyl ketone
- IUPAC
- (2-iodophenyl)-(4-methylpiperidin-1-yl)methanone
Names & synonyms
(2-Iodophenyl)(4-methylpiperidin-1-yl)methanoneDTXSID5012437912-iodophenyl 4-methylpiperidyl ketoneAKOS003266911346699-60-3ST50683984(2-Iodophenyl)(4-methyl-1-piperidinyl)methanone
Database identifiers
- CAS
346699-60-3- PubChem CID
- 3691905
- DTXSID
DTXSID501243791
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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