2-ethyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine

C15H30F3N3 — CID 43173293

IUPAC2-ethyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine
SMILESCCC(C)CC(CC)(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H30F3N3/c1-4-13(3)10-14(5-2,11-19)21-8-6-20(7-9-21)12-15(16,17)18/h13H,4-12,19H2,1-3H3
InChIKeyCPKZMUWBCDFQOP-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.71
Rot. Bonds7

About 2-ethyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine

2-ethyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine (PubChem CID 43173293) has the molecular formula C15H30F3N3 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-ethyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine
PubChem CID43173293
Molecular FormulaC15H30F3N3
Molecular Weight309.42 g/mol
Exact Mass309.24
IUPAC Name2-ethyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine
SMILESCCC(C)CC(CC)(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H30F3N3/c1-4-13(3)10-14(5-2,11-19)21-8-6-20(7-9-21)12-15(16,17)18/h13H,4-12,19H2,1-3H3
InChIKeyCPKZMUWBCDFQOP-UHFFFAOYSA-N
XLogP2.71
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-Difluoro-4-methyl-1,4-diazaspiro[5.5]undecane
CID 177801745
9,9-Difluoro-1-methyl-1,4-diazaspiro[5.5]undecane dihydrochloride
CID 177801805
C-[1-(4-Methyl-piperidin-1-yl)-cyclohexyl]-methylamine
CID 9079359
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 119043952
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-2-amine
CID 55219725
3-(Difluoromethyl)-1-propan-2-ylpiperidin-3-amine
CID 57886940
(S)-2-isobutyl-1-(2,2,2-trifluoroethyl)piperazine
CID 58612005
N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62591699
2-(2-Methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine
CID 64844275
3-(4,4-difluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine
CID 67189724
1-[(4,4-Difluorocyclohexyl)methyl]piperazine
CID 81930981
3-(Difluoromethyl)-1-ethylpiperidin-3-amine
CID 89364714

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine?
The IUPAC name of 2-ethyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine (CID 43173293) is 2-ethyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine?
The canonical SMILES for 2-ethyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine is CCC(C)CC(CC)(CN)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-ethyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine?
The InChIKey is CPKZMUWBCDFQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3N3/c1-4-13(3)10-14(5-2,11-19)21-8-6-20(7-9-21)12-15(16,17)18/h13H,4-12,19H2,1-3H3.
What are the key properties of 2-ethyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine?
2-ethyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine has a molecular weight of 309.42 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine is sourced from PubChem (CID 43173293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).