1-Piperazineethanol, 4-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-, propanoate (ester), dihydrochloride
Basic information
- CAS
53073-89-5- Standard SMILES
CCC(=O)OCCN1CCN(CC2COc3ccccc3O2)CC1.Cl.Cl- InChIKey
QYUJQULFHBJPJE-UHFFFAOYSA-N- Molecular formula
- C18H28Cl2N2O4
- Average molar mass
- 407.3 g/mol
- Monoisotopic mass
- 406.1426128
Names & identifiers
- Preferred name
- 1-Piperazineethanol, 4-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-, propanoate (ester), dihydrochloride
- IUPAC
- 2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]ethyl propanoate;dihydrochloride
Names & synonyms
CRL 40111-(2-(1,4-Benzodioxanyl)methyl)-4-(2-(propionyloxy)ethyl)piperazine dihydrochloride53073-89-51-Piperazineethanol, 4-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-, propanoate (ester), dihydrochlorideRefChem:233681DTXSID609675842-{4-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]piperazin-1-yl}ethyl propanoate--hydrogen chloride (1/2)
Database identifiers
- CAS
53073-89-5- PubChem CID
- 3040908
- DTXSID
DTXSID60967584
Properties
Computed structural properties
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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