Basic information
- CAS
887418-66-8- Standard SMILES
FC(F)(F)c1ccc(N2CCC(c3c[nH]c4ccccc34)CC2)nc1- InChIKey
YXADJOACMVHNAM-UHFFFAOYSA-N- Molecular formula
- C19H18F3N3
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.14528224
Names & identifiers
- Preferred name
- 3-[1-[5-(Trifluoromethyl)-2-pyridinyl]-4-piperidinyl]-1H-indole
- IUPAC
- 3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1H-indole
- English name
- 3-[1-[5-(Trifluoromethyl)-2-pyridinyl]-4-piperidinyl]-1H-indole
- Molecular formula
- C19H18F3N3
- Molecular weight
- 345.36
Names & synonyms
3-[1-[5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-4-PIPERIDINYL]-1H-INDOLE887418-66-83-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]-1H-indolePeakdale1_0023973-{1-[5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]PIPERIDIN-4-YL}-1H-INDOLESCHEMBL3612541HMS524M21DTXSID30407381DB-0781494-(1H-Indol-3-yl)-5'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2]-bipyridinyl1H-Indole, 3-[1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl]-
Database identifiers
- CAS
887418-66-8- PubChem CID
- 4998535
- DTXSID
DTXSID30407381
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 31.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Boiling point
- 517.4 · 517.4±50.0 °C(Predicted)
- Density
- 1.302 · 1.302
- pka
- 17.06 · 17.06±0.30(Predicted)
Chemistry & industry
Suppliers1 total
重庆卡兰医药有限公司[email protected]
Related reactions
2 records
Compound notes
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