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Basic information
- Standard SMILES
Oc1cccc([C@H]2CCCN(C[C@H]3COc4c(OCc5ccccc5)cccc4O3)C2)c1- InChIKey
WSSSGVAYVUMSHE-UPVQGACJSA-N- Molecular formula
- C27H29NO4
- Average molar mass
- 431.5 g/mol
- Monoisotopic mass
- 431.20965841
Names & identifiers
- Preferred name
- 3-[(R*)-1-((S)-5-benzyloxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidin-3-yl]-phenol
- IUPAC
- 3-[(3R)-1-[[(2S)-5-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidin-3-yl]phenol
Names & synonyms
SCHEMBL3034176WSSSGVAYVUMSHE-UPVQGACJSA-N3-[(R*)-1-((S)-5-benzyloxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidin-3-yl]-phenol
Database identifiers
- PubChem CID
- 68487537
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 568
Related reactions
5 records
Compound notes
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