1-[4-[[3-(trifluoromethyl)oxan-2-yl]amino]piperidin-1-yl]ethanone

C13H21F3N2O2 — CID 173123238

IUPAC1-[4-[[3-(trifluoromethyl)oxan-2-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2OCCCC2C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2O2/c1-9(19)18-6-4-10(5-7-18)17-12-11(13(14,15)16)3-2-8-20-12/h10-12,17H,2-8H2,1H3
InChIKeyGASSPDFIYYDOTA-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.90
Rot. Bonds2

About 1-[4-[[3-(trifluoromethyl)oxan-2-yl]amino]piperidin-1-yl]ethanone

1-[4-[[3-(trifluoromethyl)oxan-2-yl]amino]piperidin-1-yl]ethanone (PubChem CID 173123238) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-[4-[[3-(trifluoromethyl)oxan-2-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-(trifluoromethyl)oxan-2-yl]amino]piperidin-1-yl]ethanone
PubChem CID173123238
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name1-[4-[[3-(trifluoromethyl)oxan-2-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2OCCCC2C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2O2/c1-9(19)18-6-4-10(5-7-18)17-12-11(13(14,15)16)3-2-8-20-12/h10-12,17H,2-8H2,1H3
InChIKeyGASSPDFIYYDOTA-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(trifluoromethyl)oxan-2-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[3-(trifluoromethyl)oxan-2-yl]amino]piperidin-1-yl]ethanone (CID 173123238) is 1-[4-[[3-(trifluoromethyl)oxan-2-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[3-(trifluoromethyl)oxan-2-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[3-(trifluoromethyl)oxan-2-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC2OCCCC2C(F)(F)F)CC1.
What is the InChIKey of 1-[4-[[3-(trifluoromethyl)oxan-2-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is GASSPDFIYYDOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-9(19)18-6-4-10(5-7-18)17-12-11(13(14,15)16)3-2-8-20-12/h10-12,17H,2-8H2,1H3.
What are the key properties of 1-[4-[[3-(trifluoromethyl)oxan-2-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[3-(trifluoromethyl)oxan-2-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 294.32 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(trifluoromethyl)oxan-2-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 173123238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).