Basic information
- Standard SMILES
C=C(COc1ccccc1)CC1(O)CCCN(C(=O)OC(C)(C)C)C1c1ccccc1- InChIKey
MMROWAJCRZYURN-UHFFFAOYSA-N- Molecular formula
- C26H33NO4
- Average molar mass
- 423.5 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 3-hydroxy-3-[2-(phenoxymethyl)prop-2-enyl]-2-phenylpiperidine-1-carboxylate
- IUPAC
- tert-butyl 3-hydroxy-3-[2-(phenoxymethyl)prop-2-enyl]-2-phenylpiperidine-1-carboxylate
Names & synonyms
SCHEMBL6209793
Database identifiers
- PubChem CID
- 21584091
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 601
Related reactions
3 records
Compound notes
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