Basic information
- Standard SMILES
Brc1ccc(C2CCN(CCCc3onc4c3CCCCC4)CC2)cc1- InChIKey
YEAFRGXGGYMBEB-UHFFFAOYSA-N- Molecular formula
- C22H29BrN2O
- Average molar mass
- 417.4 g/mol
Names & identifiers
- Preferred name
- 3-(3-(4-(4-bromophenyl)piperidin-1-yl)propyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]isoxazole
- IUPAC
- 3-[3-[4-(4-bromophenyl)piperidin-1-yl]propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazole
Names & synonyms
SCHEMBL7963786YEAFRGXGGYMBEB-UHFFFAOYSA-N3-(3-(4-(4-bromophenyl)piperidin-1-yl)propyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]isoxazole
Database identifiers
- PubChem CID
- 59939366
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 418
Related reactions
1 records
Compound notes
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