Basic information
- CAS
1185295-38-8- Standard SMILES
Cc1ccccc1CN1CCCC(C(=O)O)C1.Cl- InChIKey
PIQQCSJRMUQPJZ-UHFFFAOYSA-N- Molecular formula
- C14H20ClNO2
- Average molar mass
- 269.77 g/mol
- Monoisotopic mass
- 269.1182566
Names & identifiers
- Preferred name
- 1-(2-Methylbenzyl)piperidine-3-carboxylic acid hydrochloride
- IUPAC
- 1-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride
Names & synonyms
1-(2-METHYLBENZYL)PIPERIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE1185295-38-81-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride1-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid hydrochlorideDTXSID101379144AKOS015844117CS-0281933Z16959694131-(2-METHYLBENZYL)PIPERIDINE-3-CARBOXYLICACIDHYDROCHLORIDE3-Piperidinecarboxylic acid, 1-[(2-methylphenyl)methyl]-, hydrochloride (1:1)
Database identifiers
- CAS
1185295-38-8- PubChem CID
- 45075007
- DTXSID
DTXSID101379144
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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