1-(4-fluorophenoxy)-3-piperazin-1-ylpropan-2-ol;2,2,2-trifluoroacetic acid

C15H20F4N2O4 — CID 70196595

IUPAC1-(4-fluorophenoxy)-3-piperazin-1-ylpropan-2-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC(COc1ccc(F)cc1)CN1CCNCC1
InChIInChI=1S/C13H19FN2O2.C2HF3O2/c14-11-1-3-13(4-2-11)18-10-12(17)9-16-7-5-15-6-8-16;3-2(4,5)1(6)7/h1-4,12,15,17H,5-10H2;(H,6,7)
InChIKeyYGDZLXIQNAPICL-UHFFFAOYSA-N
MW368.33 g/mol
LogP1.10
Rot. Bonds5

About 1-(4-fluorophenoxy)-3-piperazin-1-ylpropan-2-ol;2,2,2-trifluoroacetic acid

1-(4-fluorophenoxy)-3-piperazin-1-ylpropan-2-ol;2,2,2-trifluoroacetic acid (PubChem CID 70196595) has the molecular formula C15H20F4N2O4 and a molecular weight of 368.33 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-piperazin-1-ylpropan-2-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-piperazin-1-ylpropan-2-ol;2,2,2-trifluoroacetic acid
PubChem CID70196595
Molecular FormulaC15H20F4N2O4
Molecular Weight368.33 g/mol
Exact Mass368.14
IUPAC Name1-(4-fluorophenoxy)-3-piperazin-1-ylpropan-2-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC(COc1ccc(F)cc1)CN1CCNCC1
InChIInChI=1S/C13H19FN2O2.C2HF3O2/c14-11-1-3-13(4-2-11)18-10-12(17)9-16-7-5-15-6-8-16;3-2(4,5)1(6)7/h1-4,12,15,17H,5-10H2;(H,6,7)
InChIKeyYGDZLXIQNAPICL-UHFFFAOYSA-N
XLogP1.10
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-piperazin-1-ylpropan-2-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(4-fluorophenoxy)-3-piperazin-1-ylpropan-2-ol;2,2,2-trifluoroacetic acid (CID 70196595) is 1-(4-fluorophenoxy)-3-piperazin-1-ylpropan-2-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-piperazin-1-ylpropan-2-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(4-fluorophenoxy)-3-piperazin-1-ylpropan-2-ol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OC(COc1ccc(F)cc1)CN1CCNCC1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-piperazin-1-ylpropan-2-ol;2,2,2-trifluoroacetic acid?
The InChIKey is YGDZLXIQNAPICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2.C2HF3O2/c14-11-1-3-13(4-2-11)18-10-12(17)9-16-7-5-15-6-8-16;3-2(4,5)1(6)7/h1-4,12,15,17H,5-10H2;(H,6,7).
What are the key properties of 1-(4-fluorophenoxy)-3-piperazin-1-ylpropan-2-ol;2,2,2-trifluoroacetic acid?
1-(4-fluorophenoxy)-3-piperazin-1-ylpropan-2-ol;2,2,2-trifluoroacetic acid has a molecular weight of 368.33 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-piperazin-1-ylpropan-2-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 70196595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).