[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methanamine

C12H22F3N3O — CID 62967071

IUPAC[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(CN2CCN(CC(F)(F)F)CC2)O1
InChIInChI=1S/C12H22F3N3O/c13-12(14,15)9-18-5-3-17(4-6-18)8-11-2-1-10(7-16)19-11/h10-11H,1-9,16H2
InChIKeyXZFOYIQEPUTIHK-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.67
Rot. Bonds4

About [5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methanamine

[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methanamine (PubChem CID 62967071) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is [5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methanamine
PubChem CID62967071
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC Name[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(CN2CCN(CC(F)(F)F)CC2)O1
InChIInChI=1S/C12H22F3N3O/c13-12(14,15)9-18-5-3-17(4-6-18)8-11-2-1-10(7-16)19-11/h10-11H,1-9,16H2
InChIKeyXZFOYIQEPUTIHK-UHFFFAOYSA-N
XLogP0.67
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Tetrahydro-2-furylmethyl)piperazine
CID 2737265
1-((Tetrahydrofuran-2-yl)methyl)piperazine hydrochloride
CID 43810427
N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43765487
N-[1-(oxolan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43772044
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55073725
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 55073760
N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 55073913
N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 55074204
2-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55087708
1-N-(oxolan-2-ylmethyl)-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55087752
2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55087799
N'-methyl-N'-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55089574

Frequently Asked Questions

What is the IUPAC name of [5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methanamine (CID 62967071) is [5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methanamine is NCC1CCC(CN2CCN(CC(F)(F)F)CC2)O1.
What is the InChIKey of [5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methanamine?
The InChIKey is XZFOYIQEPUTIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c13-12(14,15)9-18-5-3-17(4-6-18)8-11-2-1-10(7-16)19-11/h10-11H,1-9,16H2.
What are the key properties of [5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methanamine?
[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methanamine has a molecular weight of 281.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 62967071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).