(5-fluoro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
Basic information
- CAS
459168-42-4- Standard SMILES
CN1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1- InChIKey
MIGREITXIMIAAD-UHFFFAOYSA-N- Molecular formula
- C14H16FN3O
- Average molar mass
- 261.29 g/mol
- Monoisotopic mass
- 261.1277403
Names & identifiers
- Preferred name
- (5-fluoro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
- IUPAC
- (5-fluoro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
Names & synonyms
(5-fluoro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanoneCHEMBL436381459168-42-4(5-fluoro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanoneMLS001214246SCHEMBL603452DTXSID001198642HMS2871N19BDBM50132996STK298869AKOS005428853SMR000543901
Show more names
(5-Fluoro-1H-indol-2-yl)(4-methyl-1-piperazinyl)methanone(5-Fluoro-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-methanone
Database identifiers
- CAS
459168-42-4- PubChem CID
- 4906599
- DTXSID
DTXSID001198642- ChEMBL
CHEMBL436381
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 39.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Experimental & physicochemical properties
LogP1.97
Solubility>39.2 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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