3-[1-(oxolan-2-yl)ethylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one

C13H21F3N2O2 — CID 75504224

IUPAC3-[1-(oxolan-2-yl)ethylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
SMILESCC(NC1CCCN(CC(F)(F)F)C1=O)C1CCCO1
InChIInChI=1S/C13H21F3N2O2/c1-9(11-5-3-7-20-11)17-10-4-2-6-18(12(10)19)8-13(14,15)16/h9-11,17H,2-8H2,1H3
InChIKeyULSNMHGOMUEZJE-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.70
Rot. Bonds4

About 3-[1-(oxolan-2-yl)ethylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one

3-[1-(oxolan-2-yl)ethylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one (PubChem CID 75504224) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 3-[1-(oxolan-2-yl)ethylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one.

Molecular Properties

Compound Name3-[1-(oxolan-2-yl)ethylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
PubChem CID75504224
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name3-[1-(oxolan-2-yl)ethylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
SMILESCC(NC1CCCN(CC(F)(F)F)C1=O)C1CCCO1
InChIInChI=1S/C13H21F3N2O2/c1-9(11-5-3-7-20-11)17-10-4-2-6-18(12(10)19)8-13(14,15)16/h9-11,17H,2-8H2,1H3
InChIKeyULSNMHGOMUEZJE-UHFFFAOYSA-N
XLogP1.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxolan-2-yl)ethylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The IUPAC name of 3-[1-(oxolan-2-yl)ethylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one (CID 75504224) is 3-[1-(oxolan-2-yl)ethylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one.
What is the SMILES notation for 3-[1-(oxolan-2-yl)ethylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The canonical SMILES for 3-[1-(oxolan-2-yl)ethylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one is CC(NC1CCCN(CC(F)(F)F)C1=O)C1CCCO1.
What is the InChIKey of 3-[1-(oxolan-2-yl)ethylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The InChIKey is ULSNMHGOMUEZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-9(11-5-3-7-20-11)17-10-4-2-6-18(12(10)19)8-13(14,15)16/h9-11,17H,2-8H2,1H3.
What are the key properties of 3-[1-(oxolan-2-yl)ethylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
3-[1-(oxolan-2-yl)ethylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one has a molecular weight of 294.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxolan-2-yl)ethylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one is sourced from PubChem (CID 75504224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).