1-(4-Fluorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
Basic information
- CAS
66307-49-1- Standard SMILES
OC(COc1ccc(F)cc1)CN1CCN(c2ccccc2)CC1- InChIKey
OAJHBYRUNMRUNS-UHFFFAOYSA-N- Molecular formula
- C19H23FN2O2
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.17435614
Names & identifiers
- Preferred name
- 1-(4-Fluorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
- IUPAC
- 1-(4-fluorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
- English name
- α-[(4-Fluorophenoxy)methyl]-4-phenyl-1-piperazineethanol
- Molecular formula
- C19H23FN2O2
- Molecular weight
- 330.4
Names & synonyms
66307-49-11-(4-fluorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-olDTXSID00984871RefChem:1054361DTXCID101412077alpha-(p-Fluorophenoxymethyl)-4-phenyl-1-piperazineethanolalpha-[(4-Fluorophenoxy)methyl]-4-phenyl-1-piperazineethanol1-Piperazineethanol, alpha-(p-fluorophenoxymethyl)-4-phenyl-AKOS016287304Z31370951α-[(4-Fluorophenoxy)methyl]-4-phenyl-1-piperazineethanol1-Piperazineethanol, α-[(4-fluorophenoxy)methyl]-4-phenyl-
Database identifiers
- CAS
66307-49-1- PubChem CID
- 3050367
- DTXSID
DTXSID00984871- Nikkaji
- J117.859H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Melting point
- 139 °C · 139 °C
- Boiling point
- 500.7 · 500.7±50.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- pka
- 15.02 · 15.02±0.20(Predicted)
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Compound notes
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