Piperazine, 1-((3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-methyl-
Basic information
- CAS
84646-82-2- Standard SMILES
CN1CCN(CC2OC3c4ccccc4Oc4ccccc4C3O2)CC1- InChIKey
NZIPPFLRCKNBLL-UHFFFAOYSA-N- Molecular formula
- C21H24N2O3
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.17869263
Names & identifiers
- Preferred name
- Piperazine, 1-((3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-methyl-
- IUPAC
- 1-methyl-4-(3,5,13-trioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-ylmethyl)piperazine
- English name
- Piperazine, 1-((3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2- yl)methyl)-4-methyl-
- Molecular weight
- 0
Names & synonyms
2-(4-Methylpiperazinomethyl)dibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane84646-82-21-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-methylpiperazinePiperazine, 1-((3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-4-methyl-RefChem:371789DTXSID3010049391-[(3a,12b-Dihydro-2H-dibenzo[b,f][1,3]dioxolo[4,5-d]oxepin-2-yl)methyl]-4-methylpiperazinePiperazine, 1-((3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2- yl)methyl)-4-methyl-
Database identifiers
- CAS
84646-82-2- PubChem CID
- 3069415
- DTXSID
DTXSID301004939
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 34.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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