Basic information
- CAS
7012-77-3- Standard SMILES
Br.COC(=O)C(Cc1ccc(Cl)cc1)N1CCCCC1- InChIKey
SLDBERCNSBTJDQ-UHFFFAOYSA-N- Molecular formula
- C15H21BrClNO2
- Average molar mass
- 362.69 g/mol
- Monoisotopic mass
- 361.04442
Names & identifiers
- Preferred name
- 1-Piperidineacetic acid, alpha-(p-chlorobenzyl)-, methyl ester, hydrobromide
- IUPAC
- methyl 3-(4-chlorophenyl)-2-piperidin-1-ylpropanoate;hydrobromide
Names & synonyms
7012-77-31-Piperidineacetic acid, alpha-(p-chlorobenzyl)-, methyl ester, hydrobromideRefChem:1056735alpha-(p-Chlorobenzyl)-1-piperidineacetic acid methyl ester hydrobromideDTXSID20990353Methyl 3-(4-chlorophenyl)-2-(piperidin-1-yl)propanoate--hydrogen bromide (1/1)
Database identifiers
- CAS
7012-77-3- PubChem CID
- 201851
- DTXSID
DTXSID20990353
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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