oxolan-2-yl-[4-propan-2-yl-3-(trifluoromethyl)piperazin-1-yl]methanone

C13H21F3N2O2 — CID 166851278

IUPACoxolan-2-yl-[4-propan-2-yl-3-(trifluoromethyl)piperazin-1-yl]methanone
SMILESCC(C)N1CCN(C(=O)C2CCCO2)CC1C(F)(F)F
InChIInChI=1S/C13H21F3N2O2/c1-9(2)18-6-5-17(8-11(18)13(14,15)16)12(19)10-4-3-7-20-10/h9-11H,3-8H2,1-2H3
InChIKeyXXYLOUNHVPZIRW-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.65
Rot. Bonds2

About oxolan-2-yl-[4-propan-2-yl-3-(trifluoromethyl)piperazin-1-yl]methanone

oxolan-2-yl-[4-propan-2-yl-3-(trifluoromethyl)piperazin-1-yl]methanone (PubChem CID 166851278) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is oxolan-2-yl-[4-propan-2-yl-3-(trifluoromethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-propan-2-yl-3-(trifluoromethyl)piperazin-1-yl]methanone
PubChem CID166851278
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Nameoxolan-2-yl-[4-propan-2-yl-3-(trifluoromethyl)piperazin-1-yl]methanone
SMILESCC(C)N1CCN(C(=O)C2CCCO2)CC1C(F)(F)F
InChIInChI=1S/C13H21F3N2O2/c1-9(2)18-6-5-17(8-11(18)13(14,15)16)12(19)10-4-3-7-20-10/h9-11H,3-8H2,1-2H3
InChIKeyXXYLOUNHVPZIRW-UHFFFAOYSA-N
XLogP1.65
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-propan-2-yl-3-(trifluoromethyl)piperazin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-propan-2-yl-3-(trifluoromethyl)piperazin-1-yl]methanone (CID 166851278) is oxolan-2-yl-[4-propan-2-yl-3-(trifluoromethyl)piperazin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-propan-2-yl-3-(trifluoromethyl)piperazin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-propan-2-yl-3-(trifluoromethyl)piperazin-1-yl]methanone is CC(C)N1CCN(C(=O)C2CCCO2)CC1C(F)(F)F.
What is the InChIKey of oxolan-2-yl-[4-propan-2-yl-3-(trifluoromethyl)piperazin-1-yl]methanone?
The InChIKey is XXYLOUNHVPZIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-9(2)18-6-5-17(8-11(18)13(14,15)16)12(19)10-4-3-7-20-10/h9-11H,3-8H2,1-2H3.
What are the key properties of oxolan-2-yl-[4-propan-2-yl-3-(trifluoromethyl)piperazin-1-yl]methanone?
oxolan-2-yl-[4-propan-2-yl-3-(trifluoromethyl)piperazin-1-yl]methanone has a molecular weight of 294.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-propan-2-yl-3-(trifluoromethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 166851278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).