2-(2,2-dimethylmorpholin-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C14H23F3N2O2 — CID 87016727

IUPAC2-(2,2-dimethylmorpholin-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCC1(C)CN(CC(=O)N2CCCC(C(F)(F)F)C2)CCO1
InChIInChI=1S/C14H23F3N2O2/c1-13(2)10-18(6-7-21-13)9-12(20)19-5-3-4-11(8-19)14(15,16)17/h11H,3-10H2,1-2H3
InChIKeyACMULPCGZREQLK-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.90
Rot. Bonds2

About 2-(2,2-dimethylmorpholin-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

2-(2,2-dimethylmorpholin-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 87016727) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID87016727
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCC1(C)CN(CC(=O)N2CCCC(C(F)(F)F)C2)CCO1
InChIInChI=1S/C14H23F3N2O2/c1-13(2)10-18(6-7-21-13)9-12(20)19-5-3-4-11(8-19)14(15,16)17/h11H,3-10H2,1-2H3
InChIKeyACMULPCGZREQLK-UHFFFAOYSA-N
XLogP1.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 87016727) is 2-(2,2-dimethylmorpholin-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is CC1(C)CN(CC(=O)N2CCCC(C(F)(F)F)C2)CCO1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is ACMULPCGZREQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-13(2)10-18(6-7-21-13)9-12(20)19-5-3-4-11(8-19)14(15,16)17/h11H,3-10H2,1-2H3.
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-(2,2-dimethylmorpholin-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 308.34 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 87016727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).