Basic information
- CAS
49646-03-9- Standard SMILES
CC(O)c1ccccc1OCC(O)CN1CCN(c2ccccc2)CC1- InChIKey
BQUJIAHAZAJIKW-UHFFFAOYSA-N- Molecular formula
- C21H28N2O3
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.20999276
Names & identifiers
- Preferred name
- 1-Piperazineethanol, alpha-((o-(1-hydroxyethyl)phenoxy)methyl)-4-phenyl-
- IUPAC
- 1-[2-(1-hydroxyethyl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol
- English name
- 2-[2-Hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]-α-methylbenzyl alcohol
- Molecular formula
- C21H28N2O3
- Molecular weight
- 356.45862
Names & synonyms
49646-03-9BRN 08418821-[2-(1-hydroxyethyl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol1-Piperazineethanol, alpha-((o-(1-hydroxyethyl)phenoxy)methyl)-4-phenyl-BENZYL ALCOHOL, alpha-METHYL-2-((2-HYDROXY-3-(4-PHENYLPIPERAZINYL))PROPOXY)-DTXSID409643192-[2-Hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]-alpha-methylbenzyl alcohol2-[2-Hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]-α-methylbenzyl alcohol
Database identifiers
- CAS
49646-03-9- PubChem CID
- 39504
- DTXSID
DTXSID40964319- Nikkaji
- J69.047C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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