Basic information
- Standard SMILES
CO[C@@H]1CN(c2ccc(C#CC3(O)CCCN(C)C3)c(Cc3ccccc3)n2)C[C@H]1O- InChIKey
LEVARROVHHJOLY-PSJAQFSKSA-N- Molecular formula
- C25H31N3O3
- Average molar mass
- 421.5 g/mol
Names & identifiers
- Preferred name
- 3-[2-Benzyl-6-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-3-pyridyl]ethynyl-1-methyl-3-piperidinol
- IUPAC
- 3-[2-[2-benzyl-6-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-3-pyridinyl]ethynyl]-1-methylpiperidin-3-ol
Names & synonyms
SCHEMBL5226402LEVARROVHHJOLY-PSJAQFSKSA-N3-[2-Benzyl-6-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-3-pyridyl]ethynyl-1-methyl-3-piperidinol
Database identifiers
- PubChem CID
- 10273729
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 655
Related reactions
1 records
Compound notes
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