N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]oxan-4-amine

C13H24F3N3O — CID 63100195

IUPACN-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]oxan-4-amine
SMILESFC(F)(F)CN1CCN(CCNC2CCOCC2)CC1
InChIInChI=1S/C13H24F3N3O/c14-13(15,16)11-19-7-5-18(6-8-19)4-3-17-12-1-9-20-10-2-12/h12,17H,1-11H2
InChIKeySLEPXPJTRFPLKQ-UHFFFAOYSA-N
MW295.35 g/mol
LogP0.93
Rot. Bonds5

About N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]oxan-4-amine

N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]oxan-4-amine (PubChem CID 63100195) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]oxan-4-amine
PubChem CID63100195
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC NameN-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]oxan-4-amine
SMILESFC(F)(F)CN1CCN(CCNC2CCOCC2)CC1
InChIInChI=1S/C13H24F3N3O/c14-13(15,16)11-19-7-5-18(6-8-19)4-3-17-12-1-9-20-10-2-12/h12,17H,1-11H2
InChIKeySLEPXPJTRFPLKQ-UHFFFAOYSA-N
XLogP0.93
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]oxan-4-amine?
The IUPAC name of N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]oxan-4-amine (CID 63100195) is N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]oxan-4-amine?
The canonical SMILES for N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]oxan-4-amine is FC(F)(F)CN1CCN(CCNC2CCOCC2)CC1.
What is the InChIKey of N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]oxan-4-amine?
The InChIKey is SLEPXPJTRFPLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c14-13(15,16)11-19-7-5-18(6-8-19)4-3-17-12-1-9-20-10-2-12/h12,17H,1-11H2.
What are the key properties of N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]oxan-4-amine?
N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]oxan-4-amine has a molecular weight of 295.35 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]oxan-4-amine is sourced from PubChem (CID 63100195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).