4-methoxy-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine

C13H26F3N3O — CID 106675531

IUPAC4-methoxy-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine
SMILESCOC(C)(C)CC(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H26F3N3O/c1-12(2,20-3)8-11(9-17)19-6-4-18(5-7-19)10-13(14,15)16/h11H,4-10,17H2,1-3H3
InChIKeyNBGMGLOVVKOLAK-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.31
Rot. Bonds6

About 4-methoxy-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine

4-methoxy-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine (PubChem CID 106675531) has the molecular formula C13H26F3N3O and a molecular weight of 297.37 g/mol. Its IUPAC name is 4-methoxy-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine
PubChem CID106675531
Molecular FormulaC13H26F3N3O
Molecular Weight297.37 g/mol
Exact Mass297.20
IUPAC Name4-methoxy-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine
SMILESCOC(C)(C)CC(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H26F3N3O/c1-12(2,20-3)8-11(9-17)19-6-4-18(5-7-19)10-13(14,15)16/h11H,4-10,17H2,1-3H3
InChIKeyNBGMGLOVVKOLAK-UHFFFAOYSA-N
XLogP1.31
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-Trifluoro-2-(4-methoxypiperidin-1-yl)propan-1-amine
CID 43752713
4,4,4-Trifluoro-3-(4-methoxypiperidin-1-yl)butan-2-amine
CID 61647910
1,1,1-Trifluoro-2-(4-methoxypiperidin-1-yl)pentan-3-amine
CID 61647911
N-(3-methoxypropyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 62556244
N-(3-ethoxypropyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 62557103
4-Methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine
CID 62967748
1,1,1-Trifluoro-2-[4-(methoxymethyl)piperidin-1-yl]pentan-3-amine
CID 63971100
4,4,4-Trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine
CID 63971489
3,3,3-Trifluoro-2-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 63973427
2-[4-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63977789
1-Amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol
CID 64820737
3-(2-Methylpropyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 64833632

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine (CID 106675531) is 4-methoxy-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine is COC(C)(C)CC(CN)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-methoxy-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine?
The InChIKey is NBGMGLOVVKOLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3N3O/c1-12(2,20-3)8-11(9-17)19-6-4-18(5-7-19)10-13(14,15)16/h11H,4-10,17H2,1-3H3.
What are the key properties of 4-methoxy-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine?
4-methoxy-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine has a molecular weight of 297.37 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 106675531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).