Ethyl 1-(2-hydroxy-3-phenoxypropyl)-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1)
Basic information
- CAS
63905-54-4- Standard SMILES
CCOC(=O)C1(c2ccccc2)CC[NH+](CC(O)COc2ccccc2)CC1.[Cl-]- InChIKey
YOTISNNICHWTFC-UHFFFAOYSA-N- Molecular formula
- C23H30ClNO4
- Average molar mass
- 419.9 g/mol
- Monoisotopic mass
- 419.1863361
Names & identifiers
- Preferred name
- Ethyl 1-(2-hydroxy-3-phenoxypropyl)-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1)
- IUPAC
- ethyl 1-(2-hydroxy-3-phenoxypropyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride
Names & synonyms
63905-54-4DTXSID90980882Ethyl 1-(2-hydroxy-3-phenoxypropyl)-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1)RefChem:1084705DTXCID1014081554-Ethoxycarbonyl-1-(2-hydroxy-3-phenoxypropyl) 4-phenylpiperidine hydrochlorideB.D.H. 200 hydrochlorideIsonipecotic acid, 1-(2-hydroxy-3-phenoxypropyl)-4-phenyl-, ethyl ester, hydrochloride
Database identifiers
- CAS
63905-54-4- PubChem CID
- 45092
Properties
Computed structural properties
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…