Basic information
- Standard SMILES
COC(=O)[C@@H]1CN(CCC=C(c2ccccc2)c2ccccc2)CC[C@@H]1O- InChIKey
ANIRDIYURQTPFE-YADHBBJMSA-N- Molecular formula
- C23H27NO3
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.19909372
Names & identifiers
- Preferred name
- 1-(4,4-Diphenyl-3-butenyl)-cis-4-hydroxy-3-piperidinecarboxylic acid methyl ester
- IUPAC
- methyl (3R,4S)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypiperidine-3-carboxylate
Names & synonyms
SCHEMBL11198079ANIRDIYURQTPFE-YADHBBJMSA-N1-(4,4-diphenyl-3-butenyl)-cis-4-hydroxy-3-piperidinecarboxylic acid methyl ester
Database identifiers
- PubChem CID
- 70535118
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 472
Related reactions
1 records
Compound notes
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