1-[(2-Iodophenyl)methyl]piperidine-3-carboxylic acid
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Basic information
- CAS
896049-30-2- Standard SMILES
O=C(O)C1CCCN(Cc2ccccc2I)C1- InChIKey
BGVPXGKBMQNDLK-UHFFFAOYSA-N- Molecular formula
- C13H16INO2
- Average molar mass
- 345.18 g/mol
- Monoisotopic mass
- 345.02258
Names & identifiers
- Preferred name
- 1-[(2-Iodophenyl)methyl]piperidine-3-carboxylic acid
- IUPAC
- 1-[(2-iodophenyl)methyl]piperidine-3-carboxylic acid
- English name
- 1-(2-IODO-BENZYL)-PIPERIDINE-3-CARBOXYLIC ACID
- Molecular formula
- C13H16INO2
- Molecular weight
- 345.18
Names & synonyms
1-(2-IODO-BENZYL)-PIPERIDINE-3-CARBOXYLIC ACID3-Piperidinecarboxylic acid, 1-[(2-iodophenyl)methyl]-
Database identifiers
- CAS
896049-30-2- PubChem CID
- 4989592
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
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Compound notes
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