Basic information
- CAS
66307-48-0- Standard SMILES
OC(COc1cccc(F)c1)CN1CCN(c2ccccc2)CC1- InChIKey
KBTCPHDLTKRILP-UHFFFAOYSA-N- Molecular formula
- C19H23FN2O2
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.17435614
Names & identifiers
- Preferred name
- 1-(3-Fluorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
- IUPAC
- 1-(3-fluorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
- English name
- α-[(3-Fluorophenoxy)methyl]-4-phenyl-1-piperazineethanol
- Molecular formula
- C19H23FN2O2
- Molecular weight
- 330.4
Names & synonyms
66307-48-01-(3-fluorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-olDTXSID40984870RefChem:1054182DTXCID401412076alpha-(m-Fluorophenoxymethyl)-4-phenyl-1-piperazineethanol1-Piperazineethanol, alpha-(m-fluorophenoxymethyl)-4-phenyl-α-[(3-Fluorophenoxy)methyl]-4-phenyl-1-piperazineethanol1-Piperazineethanol, α-[(3-fluorophenoxy)methyl]-4-phenyl-
Database identifiers
- CAS
66307-48-0- PubChem CID
- 3050366
- DTXSID
DTXSID40984870- Nikkaji
- J117.857A
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
- 357
Physicochemical properties
- Melting point
- 80 °C · 80 °C
- Boiling point
- 500.2 · 500.2±50.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- pka
- 13.98 · 13.98±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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