Basic information
- Standard SMILES
COCC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N)C1.Cl.Cl- InChIKey
DVHZLQWDDXBTES-YXMFKPEJSA-N- Molecular formula
- C19H29Cl2F3N4O2
- Average molar mass
- 473.4 g/mol
Names & identifiers
- Preferred name
- (1R,3S)-3-(2-Methoxyethyl)-3-(4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-ylcarbonyl)cyclopentanamine Dihydrochloride
- IUPAC
- [(1S,3R)-3-amino-1-(2-methoxyethyl)cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone;dihydrochloride
Names & synonyms
(1R,3S)-3-(2-Methoxyethyl)-3-(4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-ylcarbonyl)cyclopentanamine DihydrochlorideSCHEMBL3324564
Database identifiers
- PubChem CID
- 68596205
Properties
Computed structural properties
- Topological polar surface area
- 71.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 540
Related reactions
4 records
Compound notes
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