Basic information
- Standard SMILES
OC(c1ccc(OC(F)(F)F)cc1)(c1ccc(OC(F)(F)F)cc1)C1CCN(Cc2c[nH]c3cccc(F)c23)CC1- InChIKey
DBVNXQUITJRVPS-UHFFFAOYSA-N- Molecular formula
- C29H25F7N2O3
- Average molar mass
- 582.5 g/mol
Names & identifiers
- Preferred name
- N-(4-fluoroindol-3-ylmethyl)-4-[bis(4-trifluoromethoxyphenyl)hydroxymethyl]piperidine
- IUPAC
- [1-[(4-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol
Names & synonyms
N-(4-fluoroindol-3-ylmethyl)-4-[bis(4-trifluoromethoxyphenyl)hydroxymethyl]piperidineSCHEMBL8909620
Database identifiers
- PubChem CID
- 19040930
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 799
Related reactions
2 records
Compound notes
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