Basic information
- CAS
70070-15-4- Standard SMILES
COc1ccc2c(c1OC)CCOC2CN1CCN(c2ccccc2C)CC1- InChIKey
RSLANAJAQOJPAH-UHFFFAOYSA-N- Molecular formula
- C23H30N2O3
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.22564282
Names & identifiers
- Preferred name
- Piperazine, 1-((3,4-dihydro-5,6-dimethoxy-1H-2-benzopyran-1-yl)methyl)-4-(2-methylphenyl)-
- IUPAC
- 1-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-(2-methylphenyl)piperazine
Names & synonyms
BRN 08471661-((3,4-Dihydro-5,6-dimethoxy-1H-2-benzopyran-1-yl)methyl)-4-(2-methylphenyl)piperazine70070-15-45-23-02-00482 (Beilstein Handbook Reference)Piperazine, 1-((3,4-dihydro-5,6-dimethoxy-1H-2-benzopyran-1-yl)methyl)-4-(2-methylphenyl)-RefChem:371771DTXSID109903221-[(5,6-Dimethoxy-3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-4-(2-methylphenyl)piperazine
Database identifiers
- CAS
70070-15-4- PubChem CID
- 3053545
- DTXSID
DTXSID10990322
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 34.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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