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

C13H26F3N3O — CID 64790495

IUPAC2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
SMILESCNC(C)(CO)CC(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H26F3N3O/c1-11(8-12(2,10-20)17-3)19-6-4-18(5-7-19)9-13(14,15)16/h11,17,20H,4-10H2,1-3H3
InChIKeyVOSZXANTDMRXAQ-UHFFFAOYSA-N
MW297.37 g/mol
LogP0.92
Rot. Bonds6

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

2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol (PubChem CID 64790495) has the molecular formula C13H26F3N3O and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
PubChem CID64790495
Molecular FormulaC13H26F3N3O
Molecular Weight297.37 g/mol
Exact Mass297.20
IUPAC Name2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
SMILESCNC(C)(CO)CC(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H26F3N3O/c1-11(8-12(2,10-20)17-3)19-6-4-18(5-7-19)9-13(14,15)16/h11,17,20H,4-10H2,1-3H3
InChIKeyVOSZXANTDMRXAQ-UHFFFAOYSA-N
XLogP0.92
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-1-ol
CID 134355599
2-[3,3-Difluoro-5-methyl-4-(methylamino)piperidin-1-yl]ethanol;ethane
CID 169135144
2-(ethylaminomethyl)-4-fluoro-1-[(3R)-3-(methylamino)piperidin-1-yl]pentan-1-ol
CID 175633265
2-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]amino]butan-1-ol
CID 43771150
[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-Propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
CID 61046566
[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
2-(Propylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
CID 64789498
2-Amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
CID 64789499
2-Amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
CID 64789500

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol (CID 64790495) is 2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol is CNC(C)(CO)CC(C)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol?
The InChIKey is VOSZXANTDMRXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3N3O/c1-11(8-12(2,10-20)17-3)19-6-4-18(5-7-19)9-13(14,15)16/h11,17,20H,4-10H2,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol?
2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol has a molecular weight of 297.37 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol is sourced from PubChem (CID 64790495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).