1-prop-2-enoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol

C17H23F3N2O2 — CID 18593549

IUPAC1-prop-2-enoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
SMILESC=CCOCC(O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H23F3N2O2/c1-2-10-24-13-16(23)12-21-6-8-22(9-7-21)15-5-3-4-14(11-15)17(18,19)20/h2-5,11,16,23H,1,6-10,12-13H2
InChIKeyFBXUFLWRPZQGOY-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.39
Rot. Bonds7

About 1-prop-2-enoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol

1-prop-2-enoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol (PubChem CID 18593549) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-prop-2-enoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-prop-2-enoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
PubChem CID18593549
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name1-prop-2-enoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
SMILESC=CCOCC(O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H23F3N2O2/c1-2-10-24-13-16(23)12-21-6-8-22(9-7-21)15-5-3-4-14(11-15)17(18,19)20/h2-5,11,16,23H,1,6-10,12-13H2
InChIKeyFBXUFLWRPZQGOY-UHFFFAOYSA-N
XLogP2.39
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Terciprazine
CID 68763
3-hydroxy-6-(hydroxymethyl)-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-4H-pyran-4-one
CID 1478125
1-(Cyclohexyloxy)-3-[4-(4-methylphenyl)-1-piperazinyl]-2-propanol
CID 2931390
1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, hydrochloride (1:1)
CID 3041684
4-(3-(Trifluoromethyl)phenyl)-1-piperazineethanol
CID 217994
1-(Benzyloxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 6602930
1-(Benzyloxy)-3-(4-phenyl-1-piperazinyl)-2-propanol
CID 2770808
4-(3-Trifluoromethylphenyl)-piperazin-1-yl-ethanol
CID 23331704
1-Piperazineethanol, alpha-(((1-ethynylcyclohexyl)oxy)methyl)-4-(3-(trifluoromethyl)phenyl)-,dihydrochloride
CID 3039522
1-Piperazineethanol, 4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-
CID 3049825
1-Piperazinepropanol, 4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-
CID 3049826
1,2-Propanediol, 3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-, monohydriodide
CID 3051821

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-prop-2-enoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol (CID 18593549) is 1-prop-2-enoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-prop-2-enoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-prop-2-enoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol is C=CCOCC(O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-prop-2-enoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol?
The InChIKey is FBXUFLWRPZQGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-2-10-24-13-16(23)12-21-6-8-22(9-7-21)15-5-3-4-14(11-15)17(18,19)20/h2-5,11,16,23H,1,6-10,12-13H2.
What are the key properties of 1-prop-2-enoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol?
1-prop-2-enoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol has a molecular weight of 344.38 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 18593549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).