2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

C11H22F3N3O — CID 82889118

IUPAC2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCN1CCN(CCNCCOCC(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3O/c1-16-5-7-17(8-6-16)4-2-15-3-9-18-10-11(12,13)14/h15H,2-10H2,1H3
InChIKeyJAALSYXXILLPKW-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.40
Rot. Bonds7

About 2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 82889118) has the molecular formula C11H22F3N3O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID82889118
Molecular FormulaC11H22F3N3O
Molecular Weight269.31 g/mol
Exact Mass269.17
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCN1CCN(CCNCCOCC(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3O/c1-16-5-7-17(8-6-16)4-2-15-3-9-18-10-11(12,13)14/h15H,2-10H2,1H3
InChIKeyJAALSYXXILLPKW-UHFFFAOYSA-N
XLogP0.40
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 62642519
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine
CID 82944415
N'-ethyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine
CID 62636452
N-(2-butoxyethyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 62574670
N-(2-bromoethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 46738419
N-(2-methoxyethyl)-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 103208171
1-(1-methylpiperidin-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63828546
1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
CID 54961713
ethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 171070522
N-(2-ethoxyethyl)-2-piperidin-1-ylethanamine
CID 60697193
2-(2-methylprop-2-enoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 114467774
N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine
CID 103178950

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 82889118) is 2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is CN1CCN(CCNCCOCC(F)(F)F)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is JAALSYXXILLPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O/c1-16-5-7-17(8-6-16)4-2-15-3-9-18-10-11(12,13)14/h15H,2-10H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 269.31 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 82889118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).