N-(2,2,2-trifluoroethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine

C11H19F6N3 — CID 62557146

IUPACN-(2,2,2-trifluoroethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
SMILESCC(CNCC(F)(F)F)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H19F6N3/c1-9(6-18-7-10(12,13)14)20-4-2-19(3-5-20)8-11(15,16)17/h9,18H,2-8H2,1H3
InChIKeyFIQDLKWGVLVTPE-UHFFFAOYSA-N
MW307.28 g/mol
LogP1.71
Rot. Bonds5

About N-(2,2,2-trifluoroethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine

N-(2,2,2-trifluoroethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine (PubChem CID 62557146) has the molecular formula C11H19F6N3 and a molecular weight of 307.28 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
PubChem CID62557146
Molecular FormulaC11H19F6N3
Molecular Weight307.28 g/mol
Exact Mass307.15
IUPAC NameN-(2,2,2-trifluoroethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
SMILESCC(CNCC(F)(F)F)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H19F6N3/c1-9(6-18-7-10(12,13)14)20-4-2-19(3-5-20)8-11(15,16)17/h9,18H,2-8H2,1H3
InChIKeyFIQDLKWGVLVTPE-UHFFFAOYSA-N
XLogP1.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,2,2-trifluoroethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine with MolForge

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Related Compounds

3-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]butan-1-amine
CID 62557137
2-(1-oxo-1,4-thiazinan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62569980
N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
CID 62557140
2-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55087361
2-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62570690
2-(4-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55087654
2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63619316
3-methyl-N-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine
CID 62967246
2-(2,2,6,6-tetramethylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 102746094
2-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]propan-1-amine
CID 62575111
N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957846
ethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 168904282

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine (CID 62557146) is N-(2,2,2-trifluoroethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine is CC(CNCC(F)(F)F)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The InChIKey is FIQDLKWGVLVTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F6N3/c1-9(6-18-7-10(12,13)14)20-4-2-19(3-5-20)8-11(15,16)17/h9,18H,2-8H2,1H3.
What are the key properties of N-(2,2,2-trifluoroethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
N-(2,2,2-trifluoroethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine has a molecular weight of 307.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 62557146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).