Basic information
- CAS
333437-26-6- Standard SMILES
Cc1ccccc1OCC(O)CN1CCN(CC(O)COc2ccccc2C)CC1- InChIKey
DMEZKSJENAMQBF-UHFFFAOYSA-N- Molecular formula
- C24H34N2O4
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.25185757
Names & identifiers
- Preferred name
- 1-[4-(2-Hydroxy-3-o-tolyloxy-propyl)-piperazin-1-yl]-3-o-tolyloxy-propan-2-ol
- IUPAC
- 1-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-2-ol
- English name
- 1-{4-[2-hydroxy-3-(2-methylphenoxy)propyl]-1-piperazinyl}-3-(2-methylphenoxy)-2-propanol
- Molecular formula
- C24H34N2O4
- Molecular weight
- 414.53776
Names & synonyms
1-[4-(2-Hydroxy-3-o-tolyloxy-propyl)-piperazin-1-yl]-3-o-tolyloxy-propan-2-ol1-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-2-ol1-{4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl}-3-(2-methylphenoxy)propan-2-olCambridge id 5981877Oprea1_125119Oprea1_418719MLS000856374SCHEMBL7600203CHEMBL1376325HMS2697J21STK927764AKOS000569290
Show more names
1,4-Piperazinediethanol, α1,α4-bis[(2-methylphenoxy)methyl]-
AKOS016316471SMR000279319ST50338826AE-848/10204062SR-01000425898SR-01000425898-11-{4-[2-hydroxy-3-(2-methylphenoxy)propyl]-1-piperazinyl}-3-(2-methylphenoxy)-2-propanol1-{4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazinyl}-3-(2-methylphenoxy)prop an-2-ol
Database identifiers
- CAS
333437-26-6
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 430
Physicochemical properties
- Boiling point
- 594.1 · 594.1±50.0 °C(Predicted)
- Density
- 1.145 · 1.145±0.06 g/cm3(Predicted)
- pka
- 13.75 · 13.75±0.20(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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