Basic information
- CAS
414886-22-9- Standard SMILES
Fc1ccccc1CN1CCN(c2ncccn2)CC1- InChIKey
ZREIQECJMXGYIP-UHFFFAOYSA-N- Molecular formula
- C15H17FN4
- Average molar mass
- 272.32 g/mol
- Monoisotopic mass
- 272.14372472
Names & identifiers
- Preferred name
- 2-[4-[(2-Fluorophenyl)methyl]piperazin-1-yl]pyrimidine
- IUPAC
- 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine
Names & synonyms
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine414886-22-9SR-010002022812-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}pyrimidineCambridge id 5266666Oprea1_613316MLS001008519CHEMBL1501261DTXSID501327371HMS2847G16AKOS003970797SMR000496023
Show more names
2-(4-(2-fluorobenzyl)piperazin-1-yl)pyrimidine2-[4-(2-fluorobenzyl)-1-piperazinyl]pyrimidineAB00078012-01SR-01000202281-1SR-01000202281-3Z31063888
Database identifiers
- CAS
414886-22-9- PubChem CID
- 764708
- DTXSID
DTXSID501327371- ChEMBL
CHEMBL1501261
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 288
Experimental & physicochemical properties
Solubility30.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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