Basic information
- Standard SMILES
Cc1nnc(C2(O)CCN(CCc3ccccc3)CC2)n1-c1ccccc1- InChIKey
MSDMSXNQWRDXMP-UHFFFAOYSA-N- Molecular formula
- C22H26N4O
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.21066147
Names & identifiers
- Preferred name
- 4-(5-Methyl-4-phenyl-4H-1,2,4-triazol-3-yl)-1-(2-phenylethyl)-4-piperidinol
- IUPAC
- 4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(2-phenylethyl)piperidin-4-ol
Names & synonyms
SCHEMBL11084511MSDMSXNQWRDXMP-UHFFFAOYSA-N4-(5-Methyl-4-phenyl-4H-1,2,4-triazol-3-yl)-1-(2-phenylethyl)-4-piperidinol
Database identifiers
- PubChem CID
- 13375809
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 453
Related reactions
2 records
Compound notes
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