Basic information
- CAS
57611-70-8- Standard SMILES
CCCCCCOC(=O)C1(N)CCN(Cc2ccccc2)CC1.O=C(O)C(=O)O- InChIKey
KNWIORMONYMBHQ-UHFFFAOYSA-N- Molecular formula
- C21H32N2O6
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.22603674
Names & identifiers
- Preferred name
- 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, hexyl ester, ethanedioate (1:2)
- IUPAC
- hexyl 4-amino-1-benzylpiperidine-4-carboxylate;oxalic acid
Names & synonyms
4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, hexyl ester, ethanedioate (1:2)Hexyl 4-amino-1-(phenylmethyl)-4-piperidinecarboxylate ethanedioate (1:2)57611-70-8DTXSID30206250RefChem:295658DTXCID30128741Oxalic acid--hexyl 4-amino-1-benzylpiperidine-4-carboxylate (1/1)
Database identifiers
- CAS
57611-70-8- PubChem CID
- 3044643
- DTXSID
DTXSID30206250
Properties
Computed structural properties
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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