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

C14H28F3N3O — CID 64792486

IUPAC2-(ethylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
SMILESCCNC(C)(CO)CC(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H28F3N3O/c1-4-18-13(3,11-21)9-12(2)20-7-5-19(6-8-20)10-14(15,16)17/h12,18,21H,4-11H2,1-3H3
InChIKeyUVNRZELTFATASI-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.31
Rot. Bonds7

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

2-(ethylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol (PubChem CID 64792486) has the molecular formula C14H28F3N3O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
PubChem CID64792486
Molecular FormulaC14H28F3N3O
Molecular Weight311.39 g/mol
Exact Mass311.22
IUPAC Name2-(ethylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
SMILESCCNC(C)(CO)CC(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H28F3N3O/c1-4-18-13(3,11-21)9-12(2)20-7-5-19(6-8-20)10-14(15,16)17/h12,18,21H,4-11H2,1-3H3
InChIKeyUVNRZELTFATASI-UHFFFAOYSA-N
XLogP1.31
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(ethylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(ethylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol (CID 64792486) is 2-(ethylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol is CCNC(C)(CO)CC(C)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol?
The InChIKey is UVNRZELTFATASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3N3O/c1-4-18-13(3,11-21)9-12(2)20-7-5-19(6-8-20)10-14(15,16)17/h12,18,21H,4-11H2,1-3H3.
What are the key properties of 2-(ethylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol?
2-(ethylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol has a molecular weight of 311.39 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol is sourced from PubChem (CID 64792486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).