Basic information
- CAS
115495-96-0- Standard SMILES
c1ccc(CN2CCN(c3ncccn3)CC2)cc1- InChIKey
KPSYTYUUIPYPQX-UHFFFAOYSA-N- Molecular formula
- C15H18N4
- Average molar mass
- 254.33 g/mol
- Monoisotopic mass
- 254.15314659
Names & identifiers
- Preferred name
- 2-(4-Benzylpiperazin-1-yl)pyrimidine
- IUPAC
- 2-(4-benzylpiperazin-1-yl)pyrimidine
Names & synonyms
2-(4-benzylpiperazin-1-yl)pyrimidine115495-96-0Oprea1_089927MLS001008384SCHEMBL8357217CHEMBL1413215DTXSID001320520HMS2840E172-(4-benzyl-1-piperazinyl)pyrimidineAKOS026669685SMR000495952SR-01000788047
Show more names
SR-01000788047-2Z31198580
Database identifiers
- CAS
115495-96-0- PubChem CID
- 3716622
- DTXSID
DTXSID001320520- ChEMBL
CHEMBL1413215
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 251
Experimental & physicochemical properties
Solubility24.5 [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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