Basic information
- CAS
6328-42-3- Standard SMILES
c1ccc(Cc2cnc(N3CCCCC3)nc2N2CCCCC2)cc1- InChIKey
JQWGHMCKIKFATG-UHFFFAOYSA-N- Molecular formula
- C21H28N4
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.23139691
Names & identifiers
- Preferred name
- 5-Benzyl-2,4-di(piperidin-1-yl)pyrimidine
- IUPAC
- 5-benzyl-2,4-di(piperidin-1-yl)pyrimidine
Names & synonyms
5-benzyl-2,4-di(piperidin-1-yl)pyrimidine6328-42-35-Benzyl-2,4-di-piperidin-1-yl-pyrimidineNSC43682DTXSID90979357NSC-436825-benzyl-2,4-bis(1-piperidyl)pyrimidine
Database identifiers
- CAS
6328-42-3- PubChem CID
- 238992
- DTXSID
DTXSID90979357
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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