1-(2-Chloro-6-fluoro-benzyl)-4-methyl-piperazine
Basic information
- CAS
331860-09-4- Standard SMILES
CN1CCN(Cc2c(F)cccc2Cl)CC1- InChIKey
KJLGHEZXEDRBAJ-UHFFFAOYSA-N- Molecular formula
- C12H16ClFN2
- Average molar mass
- 242.72 g/mol
- Monoisotopic mass
- 242.0986044
Names & identifiers
- Preferred name
- 1-(2-Chloro-6-fluoro-benzyl)-4-methyl-piperazine
- IUPAC
- 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperazine
Names & synonyms
331860-09-41-(2-chloro-6-fluorobenzyl)-4-methylpiperazine1-(2-Chloro-6-fluoro-benzyl)-4-methyl-piperazineCambridge id 5422532MLS0012101061-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperazineCHEMBL1569135DTXSID901327254HMS2820P14AKOS000558869SMR000514932AB00084752-01
Show more names
AG-690/37046424Z52739245
Database identifiers
- CAS
331860-09-4- PubChem CID
- 677773
- DTXSID
DTXSID901327254- ChEMBL
CHEMBL1569135
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 219
Experimental & physicochemical properties
Solubility24.2 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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