Basic information
- CAS
36174-46-6- Standard SMILES
CC1CC(OC(=O)COc2ccccc2)(c2ccccc2)C(C)(CN2CCCCCC2)CN1C.Cl.Cl- InChIKey
CUTUTUGMLSMAKY-UHFFFAOYSA-N- Molecular formula
- C29H42Cl2N2O3
- Average molar mass
- 537.6 g/mol
- Monoisotopic mass
- 536.2572486
Names & identifiers
- Preferred name
- 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, phenoxyacetate, dihydrochloride
- IUPAC
- [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 2-phenoxyacetate;dihydrochloride
Names & synonyms
36174-46-64-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, phenoxyacetate, dihydrochlorideRefChem:295868DTXSID809575835-[(Azepan-1-yl)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl phenoxyacetate--hydrogen chloride (1/2)
Database identifiers
- CAS
36174-46-6- PubChem CID
- 215769
- DTXSID
DTXSID80957583
Properties
Computed structural properties
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 637
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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