Basic information
- Standard SMILES
CC(C(=O)c1ccco1)N1CCN(c2ccc(CO)c(Cl)c2)CC1- InChIKey
ILQRADRVPOCZBC-UHFFFAOYSA-N- Molecular formula
- C18H21ClN2O3
- Average molar mass
- 348.8 g/mol
Names & identifiers
- Preferred name
- 2-[4-[3-Chloro-4-(hydroxymethyl)phenyl]-1-piperazinyl]-1-(2-furanyl)-1-propanone
- IUPAC
- 2-[4-[3-chloro-4-(hydroxymethyl)phenyl]piperazin-1-yl]-1-(furan-2-yl)propan-1-one
Names & synonyms
SCHEMBL11008674ILQRADRVPOCZBC-UHFFFAOYSA-N2-[4-[3-Chloro-4-(hydroxymethyl)phenyl]-1-piperazinyl]-1-(2-furanyl)-1-propanone
Database identifiers
- PubChem CID
- 20398293
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 56.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 428
Related reactions
1 records
Compound notes
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