2H-1-Benzopyran-6-methanol, 3,4-dihydro-4-(4-(2-methoxyphenyl)-1-piperazinyl)-, dihydrochloride
Basic information
- CAS
81816-76-4- Standard SMILES
COc1ccccc1N1CCN(C2COc3ccc(CO)cc3C2)CC1.Cl.Cl- InChIKey
VJHOQZMPVXYTGB-UHFFFAOYSA-N- Molecular formula
- C21H28Cl2N2O3
- Average molar mass
- 427.4 g/mol
- Monoisotopic mass
- 426.1476981
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-6-methanol, 3,4-dihydro-4-(4-(2-methoxyphenyl)-1-piperazinyl)-, dihydrochloride
- IUPAC
- [3-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-6-yl]methanol;dihydrochloride
Names & synonyms
81816-76-42H-1-Benzopyran-6-methanol, 3,4-dihydro-4-(4-(2-methoxyphenyl)-1-piperazinyl)-, dihydrochloride3,4-Dihydro-4-(4-(2-methoxyphenyl)-1-piperazinyl)-2H-1-benzopyran-6-methanol dihydrochlorideRefChem:268370DTXSID701002242{3-[4-(2-Methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-1-benzopyran-6-yl}methanol--hydrogen chloride (1/2)
Database identifiers
- CAS
81816-76-4- PubChem CID
- 54783
- DTXSID
DTXSID701002242
Properties
Computed structural properties
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 441
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Compound notes
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