Basic information
- CAS
3398-26-3- Standard SMILES
Cl.O=C(c1ccc2c(c1)OCCO2)N1CCN(Cc2ccc3c(c2)OCCO3)CC1- InChIKey
VUJGYZDZRTUFLY-UHFFFAOYSA-N- Molecular formula
- C22H25ClN2O5
- Average molar mass
- 432.9 g/mol
- Monoisotopic mass
- 432.1451996
Names & identifiers
- Preferred name
- Piperazine, 1-(1,4-benzodioxan-6-ylcarbonyl)-4-(1,4-benzodioxan-6-ylmethyl)-, hydrochloride
- IUPAC
- 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methanone;hydrochloride
Names & synonyms
Piperazine, 1-(1,4-benzodioxan-6-ylcarbonyl)-4-(1,4-benzodioxan-6-ylmethyl)-, hydrochloride1-(1,4-Benzodioxan-6-ylcarbonyl)-4-(1,4-benzodioxan-6-ylmethyl)piperazine hydrochloride3398-26-3DTXSID60187588RefChem:371845DTXCID20110079(2,3-Dihydro-1,4-benzodioxin-6-yl){4-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazin-1-yl}methanone--hydrogen chloride (1/1)
Database identifiers
- CAS
3398-26-3- PubChem CID
- 201193
- DTXSID
DTXSID60187588
Properties
Computed structural properties
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 567
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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