Ethyl 4-(benzoyloxy)-1-pentylpiperidine-3-carboxylate--hydrogen chloride (1/1)
Basic information
- CAS
102071-00-1- Standard SMILES
CCCCCN1CCC(OC(=O)c2ccccc2)C(C(=O)OCC)C1.Cl- InChIKey
STRHKRYJOCXJGG-UHFFFAOYSA-N- Molecular formula
- C20H30ClNO4
- Average molar mass
- 383.9 g/mol
- Monoisotopic mass
- 383.1863361
Names & identifiers
- Preferred name
- Ethyl 4-(benzoyloxy)-1-pentylpiperidine-3-carboxylate--hydrogen chloride (1/1)
- IUPAC
- ethyl 4-benzoyloxy-1-pentylpiperidine-3-carboxylate;hydrochloride
Names & synonyms
102071-00-1DTXSID40907029Ethyl 4-(benzoyloxy)-1-pentylpiperidine-3-carboxylate--hydrogen chloride (1/1)RefChem:1084915DTXCID401336121Benzoic acid, 1-pentyl-3-carbethoxy-4-piperidyl ester hydrochloride3-Piperidinecarboxylic acid, 4-hydroxy-1-pentyl-, ethyl ester, benzoate (ester), hydrochloride
Database identifiers
- CAS
102071-00-1- PubChem CID
- 3064271
- DTXSID
DTXSID40907029
Properties
Computed structural properties
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…