2-methyl-2-(methylamino)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol

C13H26F3N3O — CID 64790493

IUPAC2-methyl-2-(methylamino)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
SMILESCNC(C)(CO)CCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H26F3N3O/c1-12(11-20,17-2)4-3-5-18-6-8-19(9-7-18)10-13(14,15)16/h17,20H,3-11H2,1-2H3
InChIKeyLTLWRVXYRMLOBT-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.92
Rot. Bonds7

About 2-methyl-2-(methylamino)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol

2-methyl-2-(methylamino)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol (PubChem CID 64790493) has the molecular formula C13H26F3N3O and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
PubChem CID64790493
Molecular FormulaC13H26F3N3O
Molecular Weight297.36 g/mol
Exact Mass297.20
IUPAC Name2-methyl-2-(methylamino)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
SMILESCNC(C)(CO)CCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H26F3N3O/c1-12(11-20,17-2)4-3-5-18-6-8-19(9-7-18)10-13(14,15)16/h17,20H,3-11H2,1-2H3
InChIKeyLTLWRVXYRMLOBT-UHFFFAOYSA-N
XLogP0.92
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2,2,2-Trifluoroethyl)piperazin-2-yl]propan-1-ol
CID 69976541
(2S)-2-amino-1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-1-ol
CID 134355599
[3-Amino-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol
CID 171101927
[1-(3-Amino-1,1,1-trifluoropropan-2-yl)piperidin-3-yl]methanol
CID 43752760
[1-Propyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
CID 61046015
[1-Ethyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
CID 61046380
[1-Methyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
CID 61047127
4-Methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol
CID 61247005
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)piperidin-3-yl]methanol
CID 61647651
[1-(3-Amino-1,1,1-trifluoropentan-2-yl)piperidin-3-yl]methanol
CID 61647652
2-Amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
CID 64789500
2-Methyl-2-(propan-2-ylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
CID 64790096

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol (CID 64790493) is 2-methyl-2-(methylamino)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol is CNC(C)(CO)CCCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-2-(methylamino)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol?
The InChIKey is LTLWRVXYRMLOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3N3O/c1-12(11-20,17-2)4-3-5-18-6-8-19(9-7-18)10-13(14,15)16/h17,20H,3-11H2,1-2H3.
What are the key properties of 2-methyl-2-(methylamino)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol?
2-methyl-2-(methylamino)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol has a molecular weight of 297.36 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol is sourced from PubChem (CID 64790493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).