4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, pentyl ester, ethanedioate (1:2)
Basic information
- CAS
57611-68-4- Standard SMILES
CCCCCOC(=O)C1(N)CCN(Cc2ccccc2)CC1.O=C(O)C(=O)O- InChIKey
HNTRJHMTZQONDP-UHFFFAOYSA-N- Molecular formula
- C20H30N2O6
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.21038668
Names & identifiers
- Preferred name
- 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, pentyl ester, ethanedioate (1:2)
- IUPAC
- oxalic acid;pentyl 4-amino-1-benzylpiperidine-4-carboxylate
Names & synonyms
4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, pentyl ester, ethanedioate (1:2)Pentyl 4-amino-1-(phenylmethyl)-4-piperidinecarboxylate ethanedioate (1:2)57611-68-4DTXSID20206249RefChem:295660DTXCID70128740Oxalic acid--pentyl 4-amino-1-benzylpiperidine-4-carboxylate (1/1)
Database identifiers
- CAS
57611-68-4- PubChem CID
- 3044641
- DTXSID
DTXSID20206249
Properties
Computed structural properties
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 404
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Related reactions
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Compound notes
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