Basic information
- Standard SMILES
CCc1ccc(C2CC(N)CN(C(=O)C3CCCC3)C2)cc1.O=C(O)C(F)(F)F- InChIKey
ZOHLVUJNDFETQF-UHFFFAOYSA-N- Molecular formula
- C21H29F3N2O3
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.21302728
Names & identifiers
- Preferred name
- 1-(Cyclopentylcarbonyl)-5-(4-ethylphenyl)piperidine-3-amine trifluoroacetate
- IUPAC
- [3-amino-5-(4-ethylphenyl)piperidin-1-yl]-cyclopentylmethanone;2,2,2-trifluoroacetic acid
Names & synonyms
1-(Cyclopentylcarbonyl)-5-(4-ethylphenyl)piperidine-3-amine trifluoroacetateSCHEMBL485900
Database identifiers
- PubChem CID
- 66701344
Properties
Computed structural properties
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 453
Related reactions
14 records
Compound notes
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