Basic information
- Standard SMILES
c1ccc(CN2CCC(C3(c4nnc5n4CCCCCC5)CCCC3)CC2)cc1- InChIKey
AZOORGMALMYEMS-UHFFFAOYSA-N- Molecular formula
- C25H36N4
- Average molar mass
- 392.6 g/mol
- Monoisotopic mass
- 392.29399717
Names & identifiers
- Preferred name
- 3-[1-(1-Benzyl-4-piperidinyl)cyclopentyl]-5,6,7,8,9,10-hexahydro[1,2,4]triazolo[4,3-a]azocine
- IUPAC
- 3-[1-(1-benzylpiperidin-4-yl)cyclopentyl]-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
Names & synonyms
SCHEMBL2985525AZOORGMALMYEMS-UHFFFAOYSA-N3-[1-(1-benzyl-4-piperidinyl)cyclopentyl]-5,6,7,8,9,10-hexahydro[1,2,4]triazolo[4,3-a]azocine
Database identifiers
- PubChem CID
- 68466809
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 503
Related reactions
2 records
Compound notes
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