1-(2,4-Dichlorobenzyl)piperidine-3-carboxylic acid
Basic information
- CAS
896045-26-4- Standard SMILES
O=C(O)C1CCCN(Cc2ccc(Cl)cc2Cl)C1- InChIKey
UPEFZQNGUADPBN-UHFFFAOYSA-N- Molecular formula
- C13H15Cl2NO2
- Average molar mass
- 288.17 g/mol
- Monoisotopic mass
- 287.0479841
Names & identifiers
- Preferred name
- 1-(2,4-Dichlorobenzyl)piperidine-3-carboxylic acid
- IUPAC
- 1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid
- English name
- 1-(2,4-DICHLORO-BENZYL)-PIPERIDINE-3-CARBOXYLIC ACID
- Molecular formula
- C13H15Cl2NO2
- Molecular weight
- 288.17
Names & synonyms
896045-26-41-(2,4-Dichlorobenzyl)piperidine-3-carboxylic acid1-(2,4-Dichloro-benzyl)-piperidine-3-carboxylic acid1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxylic Acid1-(2,4-Dichlorobenzyl)-piperidine-3-carboxylic AcidDTXSID80401576MFCD05170959SBB074558AKOS0052895381-(2,4-Dichlorobenzyl)piperidine-3-carboxylicacidF0905361-(2,4-Dichloro-benzyl)-piperidine-3-carboxylic?acid
Show more names
OTAVA-BB 11476111-[(2,4-Dichlorophenyl)methyl]-3-piperidinecarboxylic acid1-[(2,4-dichlorophenyl)methyl]-3-Piperidine carbocylic acid3-Piperidinecarboxylic acid, 1-[(2,4-dichlorophenyl)methyl]-
Database identifiers
- CAS
896045-26-4- PubChem CID
- 4286017
- DTXSID
DTXSID80401576
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Density
- 1.359 · 1.359
- storage temp.
- 2 · 2-8°C
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Compound notes
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