Basic information
- Standard SMILES
CC1C(=O)N(CCCN2CCCCC2)CCN1c1cccc(OC(F)(F)F)c1- InChIKey
DOIJRPYSPVXWQT-UHFFFAOYSA-N- Molecular formula
- C20H28F3N3O2
- Average molar mass
- 399.4 g/mol
Names & identifiers
- Preferred name
- 3-Methyl-1-(3-piperidin-1-yl-propyl)-4-(3-trifluoromethoxy-phenyl)-piperazin-2-one
- IUPAC
- 3-methyl-1-(3-piperidin-1-ylpropyl)-4-[3-(trifluoromethoxy)phenyl]piperazin-2-one
Names & synonyms
3-Methyl-1-(3-piperidin-1-yl-propyl)-4-(3-trifluoromethoxy-phenyl)-piperazin-2-oneSCHEMBL734557SCHEMBL756909
Database identifiers
- PubChem CID
- 59159263
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 511
Related reactions
2 records
Compound notes
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