1,3,5-Triazine, 2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)-4-methoxy-, hydrochloride (1:1)
Basic information
- CAS
21394-86-5- Standard SMILES
COc1ncnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1.Cl- InChIKey
NBZKDTLIJWTRMD-UHFFFAOYSA-N- Molecular formula
- C16H20ClN5O3
- Average molar mass
- 365.81 g/mol
- Monoisotopic mass
- 365.1254672
Names & identifiers
- Preferred name
- 1,3,5-Triazine, 2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)-4-methoxy-, hydrochloride (1:1)
- IUPAC
- 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methoxy-1,3,5-triazine;hydrochloride
Names & synonyms
21394-86-5s-Triazine, 2-methoxy-4-(4-piperonyl-1-piperazinyl)-, monohydrochlorideDTXSID10175657RefChem:1052569DTXCID40981481,3,5-Triazine, 2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)-4-methoxy-, hydrochloride (1:1)2-Methoxy-4-(4-piperonyl-1-piperazinyl)-s-triazine hydrochloride2-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-4-methoxy-1,3,5-triazine--hydrogen chloride (1/1)
Database identifiers
- CAS
21394-86-5- PubChem CID
- 210598
- DTXSID
DTXSID10175657
Properties
Computed structural properties
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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