1-Piperazineethanol, 4-(4-methoxyphenyl)-alpha-((2-nitrophenoxy)methyl)-, dihydrochloride
Basic information
- CAS
64511-65-5- Standard SMILES
COc1ccc(N2CCN(CC(O)COc3ccccc3[N+](=O)[O-])CC2)cc1.Cl.Cl- InChIKey
CJBPOIPZPJZIDW-UHFFFAOYSA-N- Molecular formula
- C20H27Cl2N3O5
- Average molar mass
- 460.3 g/mol
- Monoisotopic mass
- 459.1327764
Names & identifiers
- Preferred name
- 1-Piperazineethanol, 4-(4-methoxyphenyl)-alpha-((2-nitrophenoxy)methyl)-, dihydrochloride
- IUPAC
- 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-nitrophenoxy)propan-2-ol;dihydrochloride
Names & synonyms
64511-65-54-(4-Methoxyphenyl)-alpha-((2-nitrophenoxy)methyl)-1-piperazineethanol dihydrochloride1-Piperazineethanol, 4-(4-methoxyphenyl)-alpha-((2-nitrophenoxy)methyl)-, dihydrochlorideRefChem:2338371-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-nitrophenoxy)propan-2-ol dihydrochloride1-(4-(4-methoxyphenyl)piperazin-1-yl)-3-(2-nitrophenoxy)propan-2-ol dihydrochlorideCambridge id 6945104DTXSID10983113AKOS026678976SR-01000246949SR-01000246949-1F1082-0013
Show more names
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-nitrophenoxy)propan-2-ol;dihydrochloride1-[4-(4-Methoxyphenyl)piperazin-1-yl]-3-(2-nitrophenoxy)propan-2-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
64511-65-5- PubChem CID
- 2919985
- DTXSID
DTXSID10983113
Properties
Computed structural properties
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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