3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one

C15H21FN2O2 — CID 104960594

IUPAC3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
SMILESCC(CN1C[C@@H](C)O[C@@H](C)C1)C(=O)c1ccc(F)cn1
InChIInChI=1S/C15H21FN2O2/c1-10(7-18-8-11(2)20-12(3)9-18)15(19)14-5-4-13(16)6-17-14/h4-6,10-12H,7-9H2,1-3H3/t10?,11-,12+
InChIKeyRIGQYHBBZPMDCS-YOGCLGLASA-N
MW280.34 g/mol
LogP2.15
Rot. Bonds4

About 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one

3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one (PubChem CID 104960594) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
PubChem CID104960594
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
SMILESCC(CN1C[C@@H](C)O[C@@H](C)C1)C(=O)c1ccc(F)cn1
InChIInChI=1S/C15H21FN2O2/c1-10(7-18-8-11(2)20-12(3)9-18)15(19)14-5-4-13(16)6-17-14/h4-6,10-12H,7-9H2,1-3H3/t10?,11-,12+
InChIKeyRIGQYHBBZPMDCS-YOGCLGLASA-N
XLogP2.15
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one with MolForge

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Related Compounds

1-(5-fluoro-2-pyridinyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 114681875
1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 115941097
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 104960593
1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 115941070
3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one
CID 55094936
1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 107395046
1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 58180918
1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-ol
CID 115941592
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propanoic acid
CID 104960300
3-[cyclopropyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112586221
3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112586223
1-(5-fluoro-2-pyridinyl)-3-[(3-hydroxycyclobutyl)methyl-methylamino]-2-methylpropan-1-one
CID 115941085

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one?
The IUPAC name of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one (CID 104960594) is 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one.
What is the SMILES notation for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one?
The canonical SMILES for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one is CC(CN1C[C@@H](C)O[C@@H](C)C1)C(=O)c1ccc(F)cn1.
What is the InChIKey of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one?
The InChIKey is RIGQYHBBZPMDCS-YOGCLGLASA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10(7-18-8-11(2)20-12(3)9-18)15(19)14-5-4-13(16)6-17-14/h4-6,10-12H,7-9H2,1-3H3/t10?,11-,12+.
What are the key properties of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one?
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one has a molecular weight of 280.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one is sourced from PubChem (CID 104960594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).