Basic information
- Standard SMILES
Cl.Cl.Cl.Nc1cccc(OCC(O)CN2CCC(COc3ccccc3)CC2)c1N- InChIKey
BEPZGBDTTOZVTR-UHFFFAOYSA-N- Molecular formula
- C21H32Cl3N3O3
- Average molar mass
- 480.9 g/mol
Names & identifiers
- Preferred name
- 2,3-Diamino-1-[2-hydroxy-3-(4-phenoxymethylpiperidino)-propoxy]-benzene trihydrochloride
- IUPAC
- 1-(2,3-diaminophenoxy)-3-[4-(phenoxymethyl)piperidin-1-yl]propan-2-ol;trihydrochloride
Names & synonyms
SCHEMBL11385859BEPZGBDTTOZVTR-UHFFFAOYSA-N2,3-diamino-1-[2-hydroxy-3-(4-phenoxymethylpiperidino)-propoxy]-benzene trihydrochloride
Database identifiers
- PubChem CID
- 20570853
Properties
Computed structural properties
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 411
Related reactions
1 records
Compound notes
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