Basic information
- Standard SMILES
NC1C2CCC1Cc1cc(CCCN3CCC(C(F)(F)F)CC3)ccc1C2- InChIKey
BYWDVXXGFWIOQT-UHFFFAOYSA-N- Molecular formula
- C22H31F3N2
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.24393348
Names & identifiers
- Preferred name
- 5-[3-(4-Trifluoromethyl-piperidin-1-yl)-propyl]-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-13-ylamine
- IUPAC
- 5-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-13-amine
Names & synonyms
5-[3-(4-Trifluoromethyl-piperidin-1-yl)-propyl]-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-13-ylamineSCHEMBL6107239
Database identifiers
- PubChem CID
- 21882831
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 486
Related reactions
1 records
Compound notes
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