Basic information
- CAS
64511-52-0- Standard SMILES
O=[N+]([O-])c1cccc(OCC(O)CN2CCN(c3ccc(Cl)cc3)CC2)c1- InChIKey
FYYVQWMPEMAZIW-UHFFFAOYSA-N- Molecular formula
- C19H22ClN3O4
- Average molar mass
- 391.8 g/mol
- Monoisotopic mass
- 391.1298839
Names & identifiers
- Preferred name
- 1-Piperazineethanol, 4-(4-chlorophenyl)-alpha-((3-nitrophenoxy)methyl)-
- IUPAC
- 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol
Names & synonyms
BRN 05845654-(4-Chlorophenyl)-alpha-((3-nitrophenoxy)methyl)-1-piperazineethanol64511-52-01-Piperazineethanol, 4-(4-chlorophenyl)-alpha-((3-nitrophenoxy)methyl)-5-23-02-00122 (Beilstein Handbook Reference)RefChem:233831DTXSID409831011-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol
Database identifiers
- CAS
64511-52-0- PubChem CID
- 3049129
- DTXSID
DTXSID40983101
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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