(2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-pyridinyl)methanone

C12H15FN2O2 — CID 115646200

IUPAC(2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-pyridinyl)methanone
SMILESCC1CN(C(=O)c2ccncc2F)CC(C)O1
InChIInChI=1S/C12H15FN2O2/c1-8-6-15(7-9(2)17-8)12(16)10-3-4-14-5-11(10)13/h3-5,8-9H,6-7H2,1-2H3
InChIKeyWOEZZAKZUANGHS-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.47
Rot. Bonds1

About (2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-pyridinyl)methanone

(2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-pyridinyl)methanone (PubChem CID 115646200) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-pyridinyl)methanone
PubChem CID115646200
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-pyridinyl)methanone
SMILESCC1CN(C(=O)c2ccncc2F)CC(C)O1
InChIInChI=1S/C12H15FN2O2/c1-8-6-15(7-9(2)17-8)12(16)10-3-4-14-5-11(10)13/h3-5,8-9H,6-7H2,1-2H3
InChIKeyWOEZZAKZUANGHS-UHFFFAOYSA-N
XLogP1.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 81236152
(3-amino-5-methylpiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 79994306
(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 115646202
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone
CID 105071465
(3-fluoro-4-pyridinyl)-[(1S,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 124854532
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-4-pyridinyl)methanone;dihydrochloride
CID 120659128
(4-ethyl-3-methylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 115764496
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 102933129
(3-fluoro-4-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291522
(4-bromo-2-fluorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 17446861
[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone
CID 124625651
(3-fluoro-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 64950699

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-pyridinyl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-pyridinyl)methanone (CID 115646200) is (2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-pyridinyl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-pyridinyl)methanone is CC1CN(C(=O)c2ccncc2F)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-pyridinyl)methanone?
The InChIKey is WOEZZAKZUANGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-8-6-15(7-9(2)17-8)12(16)10-3-4-14-5-11(10)13/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-pyridinyl)methanone?
(2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-pyridinyl)methanone has a molecular weight of 238.26 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 115646200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).