Basic information
- CAS
36174-45-5- Standard SMILES
CCN(CC)CC1(C)CN(C)C(C)CC1(OC(=O)COc1ccccc1)c1ccccc1.Cl.Cl- InChIKey
BMZIPOMAZGYDPW-UHFFFAOYSA-N- Molecular formula
- C27H40Cl2N2O3
- Average molar mass
- 511.5 g/mol
- Monoisotopic mass
- 510.2415985
Names & identifiers
- Preferred name
- 4-Piperidinol, 5-diethylaminomethyl-4-phenyl-1,2,5-trimethyl-, phenoxyacetate, dihydrochloride
- IUPAC
- [5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 2-phenoxyacetate;dihydrochloride
Names & synonyms
36174-45-54-Piperidinol, 5-diethylaminomethyl-4-phenyl-1,2,5-trimethyl-, phenoxyacetate, dihydrochlorideRefChem:295878DTXSID209575825-[(Diethylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl phenoxyacetate--hydrogen chloride (1/2)
Database identifiers
- CAS
36174-45-5- PubChem CID
- 215767
- DTXSID
DTXSID20957582
Properties
Computed structural properties
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 583
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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