Basic information
- Standard SMILES
OC1(c2cc3ccccc3s2)CCN(CCC2COc3ccccc3O2)CC1- InChIKey
BAUNAMXMQOCPEI-UHFFFAOYSA-N- Molecular formula
- C23H25NO3S
- Average molar mass
- 395.5 g/mol
- Monoisotopic mass
- 395.15551483
Names & identifiers
- Preferred name
- 2-[2-(4-Hydroxy-4-(2-benzothienyl)-piperidino)-ethyl]-1,4-benzodioxan
- IUPAC
- 4-(1-benzothiophen-2-yl)-1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]piperidin-4-ol
Names & synonyms
SCHEMBL11538347BAUNAMXMQOCPEI-UHFFFAOYSA-N2-[2-(4-hydroxy-4-(2-benzothienyl)-piperidino)-ethyl]-1,4-benzodioxan
Database identifiers
- PubChem CID
- 53672426
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 524
Related reactions
2 records
Compound notes
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