6-fluoro-2-methyl-3-piperidin-4-yl-1H-indole
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Basic information
- CAS
252354-45-3- Standard SMILES
Cc1[nH]c2cc(F)ccc2c1C1CCNCC1- InChIKey
RXOMWOXKXXXIHQ-UHFFFAOYSA-N- Molecular formula
- C14H17FN2
- Average molar mass
- 232.3 g/mol
- Monoisotopic mass
- 232.13757671
Names & identifiers
- Preferred name
- 6-fluoro-2-methyl-3-piperidin-4-yl-1H-indole
- IUPAC
- 6-fluoro-2-methyl-3-piperidin-4-yl-1H-indole
- English name
- 6-FLUORO-2-METHYL-3-(4-PIPERIDINE)-1H-INDOLE
- Molecular formula
- C47H45F2N7O2
- Molecular weight
- 777.9
Names & synonyms
6-FLUORO-2-METHYL-3-(4-PIPERIDINE)-1H-INDOLEBenzamide, N,N'-[2,6-pyridinediylbis(methylene-1,4-piperidinediyl-1H-indole-3,5-diyl)]bis[4-fluoro- (9CI)
Database identifiers
- CAS
252354-45-3- PubChem CID
- 1512552
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 27.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Density
- 1.353 · 1.353±0.06 g/cm3(Predicted)
- pka
- 13.68 · 13.68±0.43(Predicted)
Related reactions
0 records
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Compound notes
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