3,3,3-trifluoro-1-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one

C12H19F3N2O2 — CID 126460687

IUPAC3,3,3-trifluoro-1-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one
SMILESO=C(CC(F)(F)F)N1CCCC(N2CCOCC2)C1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)8-11(18)17-3-1-2-10(9-17)16-4-6-19-7-5-16/h10H,1-9H2
InChIKeyZJIMLWZOJZNFEW-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.26
Rot. Bonds2

About 3,3,3-trifluoro-1-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one

3,3,3-trifluoro-1-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one (PubChem CID 126460687) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one
PubChem CID126460687
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name3,3,3-trifluoro-1-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one
SMILESO=C(CC(F)(F)F)N1CCCC(N2CCOCC2)C1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)8-11(18)17-3-1-2-10(9-17)16-4-6-19-7-5-16/h10H,1-9H2
InChIKeyZJIMLWZOJZNFEW-UHFFFAOYSA-N
XLogP1.26
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-Ethoxyethyl)-3-methylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 53607179
1-(4-Fluoropiperidin-1-yl)-2-morpholin-4-ylethanone
CID 172434889
2-{2-[(morpholin-4-yl)methyl]piperidin-1-yl}-N-(2,2,2-trifluoroethyl)propanamide
CID 72115581
4-(2-Oxo-2-piperidin-1-ylethyl)-2-(trifluoromethyl)morpholine
CID 56864653
2,2,2-Trifluoro-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 57979789
2,2,3,3,4,4,5,5-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 58855467
(4,4-Difluoro-1-methylpiperidin-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 68220953
1-(3,3-Difluoropiperidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
CID 70869827
1-(4,4-Difluoropiperidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
CID 70906987
2,2,4,4,5,5-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 89623716
2,2,4,4,5,5,5-heptafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 89623852
4,4,4-Trifluoro-1-(7-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)butan-1-one
CID 129269498

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one (CID 126460687) is 3,3,3-trifluoro-1-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one is O=C(CC(F)(F)F)N1CCCC(N2CCOCC2)C1.
What is the InChIKey of 3,3,3-trifluoro-1-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one?
The InChIKey is ZJIMLWZOJZNFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)8-11(18)17-3-1-2-10(9-17)16-4-6-19-7-5-16/h10H,1-9H2.
What are the key properties of 3,3,3-trifluoro-1-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one?
3,3,3-trifluoro-1-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one has a molecular weight of 280.29 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 126460687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).