2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol

C13H19FN2O — CID 20785413

IUPAC2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol
SMILESCC(C)(O)c1ccc(F)c(N2CCNCC2)c1
InChIInChI=1S/C13H19FN2O/c1-13(2,17)10-3-4-11(14)12(9-10)16-7-5-15-6-8-16/h3-4,9,15,17H,5-8H2,1-2H3
InChIKeyALYBYVWMNYBRNJ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.46
Rot. Bonds2

About 2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol

2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol (PubChem CID 20785413) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol
PubChem CID20785413
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol
SMILESCC(C)(O)c1ccc(F)c(N2CCNCC2)c1
InChIInChI=1S/C13H19FN2O/c1-13(2,17)10-3-4-11(14)12(9-10)16-7-5-15-6-8-16/h3-4,9,15,17H,5-8H2,1-2H3
InChIKeyALYBYVWMNYBRNJ-UHFFFAOYSA-N
XLogP1.46
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol?
The IUPAC name of 2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol (CID 20785413) is 2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol.
What is the SMILES notation for 2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol?
The canonical SMILES for 2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol is CC(C)(O)c1ccc(F)c(N2CCNCC2)c1.
What is the InChIKey of 2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol?
The InChIKey is ALYBYVWMNYBRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-13(2,17)10-3-4-11(14)12(9-10)16-7-5-15-6-8-16/h3-4,9,15,17H,5-8H2,1-2H3.
What are the key properties of 2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol?
2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol has a molecular weight of 238.31 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-piperazin-1-ylphenyl)propan-2-ol is sourced from PubChem (CID 20785413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).