2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone

C11H21F3N4O — CID 107494811

IUPAC2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN(CCN)CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N4O/c1-16-4-6-18(7-5-16)10(19)8-17(3-2-15)9-11(12,13)14/h2-9,15H2,1H3
InChIKeyZAYZUYXVBSWQNF-UHFFFAOYSA-N
MW282.31 g/mol
LogP-0.42
Rot. Bonds5

About 2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone

2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 107494811) has the molecular formula C11H21F3N4O and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID107494811
Molecular FormulaC11H21F3N4O
Molecular Weight282.31 g/mol
Exact Mass282.17
IUPAC Name2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN(CCN)CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N4O/c1-16-4-6-18(7-5-16)10(19)8-17(3-2-15)9-11(12,13)14/h2-9,15H2,1H3
InChIKeyZAYZUYXVBSWQNF-UHFFFAOYSA-N
XLogP-0.42
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1-(azepan-1-yl)ethanone
CID 107494809
2-[2-aminoethyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 61348571
2-[2-aminoethyl(cyclobutyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 102875219
1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]piperidin-4-one
CID 107481303
1-(1,4-diazepan-1-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010945
2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 123763074
2-[[2-(azepan-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257938
2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 62009786
methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]acetate
CID 62953322
2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915085
2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone
CID 63761864
1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone
CID 171907358

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone (CID 107494811) is 2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CN(CCN)CC(F)(F)F)CC1.
What is the InChIKey of 2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is ZAYZUYXVBSWQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4O/c1-16-4-6-18(7-5-16)10(19)8-17(3-2-15)9-11(12,13)14/h2-9,15H2,1H3.
What are the key properties of 2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 282.31 g/mol, XLogP of -0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 107494811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).