1,2-Propanediol, 3-(4-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-1-piperazinyl)-, dihydrochloride
Basic information
- CAS
53073-88-4- Standard SMILES
Cl.Cl.OCC(O)CN1CCN(CC2COc3ccccc3O2)CC1- InChIKey
VLCPWAXZMCIAJY-UHFFFAOYSA-N- Molecular formula
- C16H26Cl2N2O4
- Average molar mass
- 381.3 g/mol
- Monoisotopic mass
- 380.1269627
Names & identifiers
- Preferred name
- 1,2-Propanediol, 3-(4-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-1-piperazinyl)-, dihydrochloride
- IUPAC
- 3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]propane-1,2-diol;dihydrochloride
Names & synonyms
CRL 400341,2-Propanediol, 3-(4-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-1-piperazinyl)-, dihydrochloride53073-88-41-(2-(1,4-Benzodioxanyl)methyl)-4-(2,3-dihydroxypropyl)piperazine dihydrochlorideRefChem:216452DTXSID009675833-{4-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]piperazin-1-yl}propane-1,2-diol--hydrogen chloride (1/2)
Database identifiers
- CAS
53073-88-4- PubChem CID
- 3040906
- DTXSID
DTXSID00967583
Properties
Computed structural properties
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 336
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Compound notes
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