9H-Purine, 9-(4-piperidinyl)-
Basic information
- CAS
830331-58-3- Standard SMILES
c1ncc2ncn(C3CCNCC3)c2n1- InChIKey
FAUNNWVSZSAWJL-UHFFFAOYSA-N- Molecular formula
- C10H13N5
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.11709544
Names & identifiers
- Preferred name
- 9H-Purine, 9-(4-piperidinyl)-
- IUPAC
- 9-piperidin-4-ylpurine
Names & synonyms
9-(piperidin-4-yl)-9H-purine830331-58-39H-Purine, 9-(4-piperidinyl)-9-piperidin-4-ylpurineDTXSID30460870
Database identifiers
- CAS
830331-58-3- PubChem CID
- 11275720
- DTXSID
DTXSID30460870
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 216
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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