Piperidine, 1-(1-imino-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl)-, monohydrochloride
Basic information
- CAS
126480-56-6- Standard SMILES
Cl.Cn1c(=O)c2c(ncn2CCC(=N)N2CCCCC2)n(C)c1=O- InChIKey
OBDJPXFUYDHNRH-UHFFFAOYSA-N- Molecular formula
- C15H23ClN6O2
- Average molar mass
- 354.83 g/mol
- Monoisotopic mass
- 354.1571017
Names & identifiers
- Preferred name
- Piperidine, 1-(1-imino-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl)-, monohydrochloride
- IUPAC
- 7-(3-imino-3-piperidin-1-ylpropyl)-1,3-dimethylpurine-2,6-dione;hydrochloride
Names & synonyms
126480-56-6Piperidine, 1-(1-imino-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl)-, monohydrochlorideRefChem:372890DTXSID809255657-[3-Imino-3-(piperidin-1-yl)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
126480-56-6- PubChem CID
- 3079802
- DTXSID
DTXSID80925565
Properties
Computed structural properties
- Topological polar surface area
- 85.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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