1-[3-methyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

C13H23F3N2O2 — CID 103205307

IUPAC1-[3-methyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCCCNC1CCN(C(=O)COCC(F)(F)F)CC1C
InChIInChI=1S/C13H23F3N2O2/c1-3-5-17-11-4-6-18(7-10(11)2)12(19)8-20-9-13(14,15)16/h10-11,17H,3-9H2,1-2H3
InChIKeyZQMNPCOTJRGRSJ-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.80
Rot. Bonds6

About 1-[3-methyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

1-[3-methyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103205307) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[3-methyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-[3-methyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103205307
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name1-[3-methyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCCCNC1CCN(C(=O)COCC(F)(F)F)CC1C
InChIInChI=1S/C13H23F3N2O2/c1-3-5-17-11-4-6-18(7-10(11)2)12(19)8-20-9-13(14,15)16/h10-11,17H,3-9H2,1-2H3
InChIKeyZQMNPCOTJRGRSJ-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-[3-methyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (CID 103205307) is 1-[3-methyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-[3-methyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-[3-methyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is CCCNC1CCN(C(=O)COCC(F)(F)F)CC1C.
What is the InChIKey of 1-[3-methyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is ZQMNPCOTJRGRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-3-5-17-11-4-6-18(7-10(11)2)12(19)8-20-9-13(14,15)16/h10-11,17H,3-9H2,1-2H3.
What are the key properties of 1-[3-methyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
1-[3-methyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 296.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103205307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).