Basic information
- CAS
959236-49-8- Standard SMILES
FC(F)(F)c1cccc2[nH]cc(C3CCNCC3)c12- InChIKey
CTDWCNIDBHVHDP-UHFFFAOYSA-N- Molecular formula
- C14H15F3N2
- Average molar mass
- 268.28 g/mol
- Monoisotopic mass
- 268.11873297
Names & identifiers
- Preferred name
- 3-(4-Piperidinyl)-4-(trifluoromethyl)-1H-indole
- IUPAC
- 3-piperidin-4-yl-4-(trifluoromethyl)-1H-indole
Names & synonyms
3-(4-Piperidinyl)-4-(trifluoromethyl)-1H-indoleSCHEMBL8875495CTDWCNIDBHVHDP-UHFFFAOYSA-NDTXSID401243512959236-49-83-piperidin-4-yl-4-(trifluoromethyl)-1H-indole3-(Piperidin-4-yl)-4-(trifluoromethyl)-1H-indole
Database identifiers
- CAS
959236-49-8- PubChem CID
- 22909482
- DTXSID
DTXSID401243512
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 27.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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