1-morpholin-4-yl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one

C13H21F3N2O2 — CID 71988647

IUPAC1-morpholin-4-yl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCC(C(F)(F)F)CC1)N1CCOCC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)11-1-4-17(5-2-11)6-3-12(19)18-7-9-20-10-8-18/h11H,1-10H2
InChIKeyDLCDIRZBJVNGLP-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.51
Rot. Bonds3

About 1-morpholin-4-yl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one

1-morpholin-4-yl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one (PubChem CID 71988647) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
PubChem CID71988647
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name1-morpholin-4-yl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCC(C(F)(F)F)CC1)N1CCOCC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)11-1-4-17(5-2-11)6-3-12(19)18-7-9-20-10-8-18/h11H,1-10H2
InChIKeyDLCDIRZBJVNGLP-UHFFFAOYSA-N
XLogP1.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Difluoro-1,3-dimorpholin-4-ylpropane-1,3-dione
CID 717946
1-(4-(Morpholinomethyl)piperidin-1-yl)ethanone
CID 60773960
2,2,2-Trifluoroethyl 3-((morpholin-4-yl)methyl)piperidine-1-carboxylate
CID 54592932
3,3,3-Trifluoro-1-morpholin-4-yl-2-(morpholin-4-ylmethyl)propan-1-one
CID 134918179
Cambridge id 6578647
CID 883920
1-[4-(2-Methoxyethyl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 53150911
4-{3-[1-(4,4,4-Trifluorobutyl)-4-piperidinyl]propanoyl}morpholine
CID 26315521
1-[4-(Morpholine-4-carbonyl)piperidin-1-YL]butan-1-one
CID 45596639
3-[4-[(Dimethylamino)methyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 53565112
1-[4-(3-Morpholin-4-ylpropyl)piperidin-1-yl]propan-1-one
CID 75484186
2,2,2-Trifluoro-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 57979789
2,2,2-trifluoroethyl (3R)-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate
CID 52908345

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one (CID 71988647) is 1-morpholin-4-yl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one is O=C(CCN1CCC(C(F)(F)F)CC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The InChIKey is DLCDIRZBJVNGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)11-1-4-17(5-2-11)6-3-12(19)18-7-9-20-10-8-18/h11H,1-10H2.
What are the key properties of 1-morpholin-4-yl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
1-morpholin-4-yl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one has a molecular weight of 294.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 71988647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).