4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmorpholine

C14H20FN3O3S — CID 973790

IUPAC4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H20FN3O3S/c15-13-3-1-2-4-14(13)16-5-7-17(8-6-16)22(19,20)18-9-11-21-12-10-18/h1-4H,5-12H2
InChIKeyAERJCROLTQNHBV-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.52
Rot. Bonds3

About 4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmorpholine

4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmorpholine (PubChem CID 973790) has the molecular formula C14H20FN3O3S and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmorpholine
PubChem CID973790
Molecular FormulaC14H20FN3O3S
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC Name4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H20FN3O3S/c15-13-3-1-2-4-14(13)16-5-7-17(8-6-16)22(19,20)18-9-11-21-12-10-18/h1-4H,5-12H2
InChIKeyAERJCROLTQNHBV-UHFFFAOYSA-N
XLogP0.52
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmorpholine (CID 973790) is 4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmorpholine is O=S(=O)(N1CCOCC1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmorpholine?
The InChIKey is AERJCROLTQNHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3S/c15-13-3-1-2-4-14(13)16-5-7-17(8-6-16)22(19,20)18-9-11-21-12-10-18/h1-4H,5-12H2.
What are the key properties of 4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmorpholine?
4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmorpholine has a molecular weight of 329.40 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 973790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).