2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-morpholin-4-ylethanone

C14H24F3N3O2 — CID 84598924

IUPAC2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCC1(C)CN(CC(F)(F)F)CCN1CC(=O)N1CCOCC1
InChIInChI=1S/C14H24F3N3O2/c1-13(2)10-18(11-14(15,16)17)3-4-20(13)9-12(21)19-5-7-22-8-6-19/h3-11H2,1-2H3
InChIKeyXVSSUDNATXZLGR-UHFFFAOYSA-N
MW323.36 g/mol
LogP0.80
Rot. Bonds3

About 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-morpholin-4-ylethanone

2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 84598924) has the molecular formula C14H24F3N3O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID84598924
Molecular FormulaC14H24F3N3O2
Molecular Weight323.36 g/mol
Exact Mass323.18
IUPAC Name2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCC1(C)CN(CC(F)(F)F)CCN1CC(=O)N1CCOCC1
InChIInChI=1S/C14H24F3N3O2/c1-13(2)10-18(11-14(15,16)17)3-4-20(13)9-12(21)19-5-7-22-8-6-19/h3-11H2,1-2H3
InChIKeyXVSSUDNATXZLGR-UHFFFAOYSA-N
XLogP0.80
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-morpholin-4-ylethanone (CID 84598924) is 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-morpholin-4-ylethanone is CC1(C)CN(CC(F)(F)F)CCN1CC(=O)N1CCOCC1.
What is the InChIKey of 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is XVSSUDNATXZLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O2/c1-13(2)10-18(11-14(15,16)17)3-4-20(13)9-12(21)19-5-7-22-8-6-19/h3-11H2,1-2H3.
What are the key properties of 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 323.36 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 84598924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).