Basic information
- CAS
63991-29-7- Standard SMILES
CC(O)c1cccc(OCC(O)C[NH+]2CCN(c3ccccc3)CC2)c1.[Cl-]- InChIKey
OQAYOKXYIRUJCF-UHFFFAOYSA-N- Molecular formula
- C21H29ClN2O3
- Average molar mass
- 392.9 g/mol
- Monoisotopic mass
- 392.1866705
Names & identifiers
- Preferred name
- Benzyl alcohol, alpha-methyl-3-((2-hydroxy-3-(4-phenylpiperazinyl))propoxy)-, hydrochloride
- IUPAC
- 1-[3-(1-hydroxyethyl)phenoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol chloride
Names & synonyms
63991-29-7Benzyl alcohol, alpha-methyl-3-((2-hydroxy-3-(4-phenylpiperazinyl))propoxy)-, hydrochlorideRefChem:328611
Database identifiers
- CAS
63991-29-7- PubChem CID
- 46261
Properties
Computed structural properties
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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