Basic information
- Standard SMILES
CS(=O)(=O)N1CC=C(c2ccc(OCC3CCNCC3)cn2)CC1- InChIKey
LQLZFZYUANDPGH-UHFFFAOYSA-N- Molecular formula
- C17H25N3O3S
- Average molar mass
- 351.5 g/mol
Names & identifiers
- Preferred name
- 4-(1'-Methanesulfonyl-1',2',3',6'-tetrahydro-[2,4']bipyridinyl-5-yloxymethyl)-piperidine
- IUPAC
- 2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-(piperidin-4-ylmethoxy)pyridine
Names & synonyms
SCHEMBL978348LQLZFZYUANDPGH-UHFFFAOYSA-N4-(1'-Methanesulfonyl-1',2',3',6'-tetrahydro-[2,4']bipyridinyl-5-yloxymethyl)-piperidine
Database identifiers
- PubChem CID
- 66864837
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 538
Related reactions
2 records
Compound notes
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