Basic information
- CAS
52904-48-0- Standard SMILES
COC(=O)N1CC2CCCC(C1)C2(OC)c1ccccc1- InChIKey
FOQUCUPDYPHYSL-UHFFFAOYSA-N- Molecular formula
- C17H23NO3
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.1677936
Names & identifiers
- Preferred name
- 3-Azabicyclo(3.3.1)nonane-3-carboxylic acid, 9-methoxy-9-phenyl-, methyl ester, syn-
- IUPAC
- methyl 9-methoxy-9-phenyl-3-azabicyclo[3.3.1]nonane-3-carboxylate
Names & synonyms
BRN 14860811-Methoxycarbonyl-4-beta-methoxy-4-alpha-phenyl-3-alpha,5-alpha-propanopiperidine52904-48-0syn-9-Methoxy-9-phenyl-3-azabicyclo(3.3.1)nonane-3-carboxylic acid methyl ester3-Azabicyclo(3.3.1)nonane-3-carboxylic acid, 9-methoxy-9-phenyl-, methyl ester, syn-RefChem:2767855-21-03-00137 (Beilstein Handbook Reference)DTXSID70967373methyl 9-methoxy-9-phenyl-3-azabicyclo[3.3.1]nonane-3-carboxylate
Database identifiers
- CAS
52904-48-0- PubChem CID
- 40573
- DTXSID
DTXSID70967373
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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