Basic information
- Standard SMILES
O=S(=O)(CCN1CCC(Cc2ccccc2)CC1)c1ccc(O)cc1- InChIKey
NQDWSKCPAPDCEI-UHFFFAOYSA-N- Molecular formula
- C20H25NO3S
- Average molar mass
- 359.5 g/mol
Names & identifiers
- Preferred name
- 4[-2-(4-Benzyl-piperidine-1-yl)-ethanesulfonyl]-phenol
- IUPAC
- 4-[2-(4-benzylpiperidin-1-yl)ethylsulfonyl]phenol
Names & synonyms
SCHEMBL5505080CHEMBL2448831NQDWSKCPAPDCEI-UHFFFAOYSA-N4[-2-(4-Benzyl-piperidine-1-yl)-ethanesulfonyl]-phenol
Database identifiers
- PubChem CID
- 9798945
- ChEMBL
CHEMBL2448831
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 480
Experimental & physicochemical properties
Dissociation Constants6.8
Related reactions
3 records
Compound notes
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