1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one

C14H19FN2O3 — CID 115941097

IUPAC1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
SMILESCC(CN1CCOC(CO)C1)C(=O)c1ccc(F)cn1
InChIInChI=1S/C14H19FN2O3/c1-10(7-17-4-5-20-12(8-17)9-18)14(19)13-3-2-11(15)6-16-13/h2-3,6,10,12,18H,4-5,7-9H2,1H3
InChIKeyXSLMVUOJSMDCNK-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.73
Rot. Bonds5

About 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one

1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one (PubChem CID 115941097) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
PubChem CID115941097
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
SMILESCC(CN1CCOC(CO)C1)C(=O)c1ccc(F)cn1
InChIInChI=1S/C14H19FN2O3/c1-10(7-17-4-5-20-12(8-17)9-18)14(19)13-3-2-11(15)6-16-13/h2-3,6,10,12,18H,4-5,7-9H2,1H3
InChIKeyXSLMVUOJSMDCNK-UHFFFAOYSA-N
XLogP0.73
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 104960594
1-(5-fluoro-2-pyridinyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 114681875
1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 115941070
1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 107395046
N-[1-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79834633
[4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]methanol
CID 115750247
3-[2-(aminomethyl)morpholin-4-yl]-2-methylpropanamide
CID 61336630
3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropanimidamide
CID 81203073
N-(cyclopropylmethyl)-5-fluoro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyridine-2-carboxamide
CID 129478828
[2-(hydroxymethyl)morpholin-4-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 113436230
[4-[2-(4-fluorophenyl)sulfanylethyl]morpholin-2-yl]methanol
CID 79841047
1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-amine
CID 112586255

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one (CID 115941097) is 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one is CC(CN1CCOC(CO)C1)C(=O)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one?
The InChIKey is XSLMVUOJSMDCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-10(7-17-4-5-20-12(8-17)9-18)14(19)13-3-2-11(15)6-16-13/h2-3,6,10,12,18H,4-5,7-9H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one?
1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one has a molecular weight of 282.31 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one is sourced from PubChem (CID 115941097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).