(4-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C11H18F3N3O2 — CID 66235254

IUPAC(4-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESNC1COCC1C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O2/c12-11(13,14)7-16-1-3-17(4-2-16)10(18)8-5-19-6-9(8)15/h8-9H,1-7,15H2
InChIKeyWRMSIODUSKQXTF-UHFFFAOYSA-N
MW281.28 g/mol
LogP-0.33
Rot. Bonds2

About (4-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

(4-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 66235254) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is (4-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID66235254
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name(4-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESNC1COCC1C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O2/c12-11(13,14)7-16-1-3-17(4-2-16)10(18)8-5-19-6-9(8)15/h8-9H,1-7,15H2
InChIKeyWRMSIODUSKQXTF-UHFFFAOYSA-N
XLogP-0.33
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 66235254) is (4-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is NC1COCC1C(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of (4-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is WRMSIODUSKQXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c12-11(13,14)7-16-1-3-17(4-2-16)10(18)8-5-19-6-9(8)15/h8-9H,1-7,15H2.
What are the key properties of (4-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(4-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 281.28 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 66235254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).