1-(4-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one

C15H20FNO3 — CID 81204483

IUPAC1-(4-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
SMILESCC1COC(CO)CN1CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO3/c1-11-10-20-14(9-18)8-17(11)7-6-15(19)12-2-4-13(16)5-3-12/h2-5,11,14,18H,6-10H2,1H3
InChIKeyULPYUKANKSXZST-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.48
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one

1-(4-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one (PubChem CID 81204483) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
PubChem CID81204483
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name1-(4-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
SMILESCC1COC(CO)CN1CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO3/c1-11-10-20-14(9-18)8-17(11)7-6-15(19)12-2-4-13(16)5-3-12/h2-5,11,14,18H,6-10H2,1H3
InChIKeyULPYUKANKSXZST-UHFFFAOYSA-N
XLogP1.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one (CID 81204483) is 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one is CC1COC(CO)CN1CCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one?
The InChIKey is ULPYUKANKSXZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-11-10-20-14(9-18)8-17(11)7-6-15(19)12-2-4-13(16)5-3-12/h2-5,11,14,18H,6-10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one?
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one has a molecular weight of 281.33 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 81204483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).