Basic information
- CAS
35689-05-5- Standard SMILES
Cc1c(C(=O)N2CCN(CCO)CC2)oc2cc3c(cc12)OCCO3.Cl- InChIKey
VEQAZYMILRGECZ-UHFFFAOYSA-N- Molecular formula
- C18H23ClN2O5
- Average molar mass
- 382.8 g/mol
- Monoisotopic mass
- 382.1295495
Names & identifiers
- Preferred name
- 1-Piperazineethanol, 4-((8-methylfuro(2,3-g)-1,4-benzodioxin-7-yl)carbonyl)-, hydrochloride
- IUPAC
- [4-(2-hydroxyethyl)piperazin-1-yl]-(8-methyl-2,3-dihydrofuro[2,3-g][1,4]benzodioxin-7-yl)methanone;hydrochloride
Names & synonyms
35689-05-51-Piperazineethanol, 4-((8-methylfuro(2,3-g)-1,4-benzodioxin-7-yl)carbonyl)-, hydrochloride4-((8-Methylfuro(2,3-g)-1,4-benzodioxin-7-yl)carbonyl)-1-piperazineethanol hydrochlorideDTXSID70189199RefChem:233689DTXCID50111690(4-(2-Hydroxyethyl)piperazin-1-yl)(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]benzofuran-7-yl)methanone hydrochloride[4-(2-Hydroxyethyl)piperazin-1-yl](8-methyl-2,3-dihydrofuro[2,3-g][1,4]benzodioxin-7-yl)methanone--hydrogen chloride (1/1)
Database identifiers
- CAS
35689-05-5- PubChem CID
- 215433
- DTXSID
DTXSID70189199
Properties
Computed structural properties
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…