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

C12H20F3N3O2 — CID 115294639

IUPAC(4-aminooxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESNC1(C(=O)N2CCN(CC(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C12H20F3N3O2/c13-12(14,15)9-17-3-5-18(6-4-17)10(19)11(16)1-7-20-8-2-11/h1-9,16H2
InChIKeyRWXMEKNCHXWSCE-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.20
Rot. Bonds2

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

(4-aminooxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 115294639) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is (4-aminooxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminooxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID115294639
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC Name(4-aminooxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESNC1(C(=O)N2CCN(CC(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C12H20F3N3O2/c13-12(14,15)9-17-3-5-18(6-4-17)10(19)11(16)1-7-20-8-2-11/h1-9,16H2
InChIKeyRWXMEKNCHXWSCE-UHFFFAOYSA-N
XLogP0.20
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-aminooxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-aminooxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 115294639) is (4-aminooxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-aminooxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-aminooxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is NC1(C(=O)N2CCN(CC(F)(F)F)CC2)CCOCC1.
What is the InChIKey of (4-aminooxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is RWXMEKNCHXWSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c13-12(14,15)9-17-3-5-18(6-4-17)10(19)11(16)1-7-20-8-2-11/h1-9,16H2.
What are the key properties of (4-aminooxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(4-aminooxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 295.31 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 115294639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).