Basic information
- Standard SMILES
Cc1ccc(OC2CCN(CCS(=O)(=O)c3ccc(O)cc3)CC2)cc1- InChIKey
ILLXGKQRCIUUJG-UHFFFAOYSA-N- Molecular formula
- C20H25NO4S
- Average molar mass
- 375.5 g/mol
Names & identifiers
- Preferred name
- 4-[2-(4-p-Tolyloxy-piperidin-1-yl)-ethanesulfonyl]-phenol
- IUPAC
- 4-[2-[4-(4-methylphenoxy)piperidin-1-yl]ethylsulfonyl]phenol
Names & synonyms
SCHEMBL5509796ILLXGKQRCIUUJG-UHFFFAOYSA-N4-[2-(4-p-Tolyloxy-piperidin-1-yl)-ethanesulfonyl]-phenol
Database identifiers
- PubChem CID
- 9842587
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 508
Related reactions
2 records
Compound notes
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