2-(methylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

C9H16F3N3O — CID 61260523

IUPAC2-(methylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESCNCC(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H16F3N3O/c1-13-6-8(16)15-4-2-14(3-5-15)7-9(10,11)12/h13H,2-7H2,1H3
InChIKeyAKERFMSFBAEHOP-UHFFFAOYSA-N
MW239.24 g/mol
LogP-0.09
Rot. Bonds3

About 2-(methylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

2-(methylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (PubChem CID 61260523) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-(methylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
PubChem CID61260523
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name2-(methylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESCNCC(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H16F3N3O/c1-13-6-8(16)15-4-2-14(3-5-15)7-9(10,11)12/h13H,2-7H2,1H3
InChIKeyAKERFMSFBAEHOP-UHFFFAOYSA-N
XLogP-0.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(methylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone 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

1-(4-ethylpiperazin-1-yl)-2-(methylamino)ethanone
CID 24706244
1-[4-(2-fluoroethyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 121201948
3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 71782653
ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 143483059
3-(ethylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one
CID 62838357
1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 71782652
2-methyl-3-(methylamino)-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-1-one
CID 119844308
3-[[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]amino]butanoic acid
CID 62969872
2,2-dimethyl-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]propan-1-one
CID 83634925
2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 61260522
5-oxo-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanoic acid
CID 43580112
[(2S)-1-oxo-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-yl]carbamic acid
CID 174209880

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (CID 61260523) is 2-(methylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is CNCC(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-(methylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The InChIKey is AKERFMSFBAEHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c1-13-6-8(16)15-4-2-14(3-5-15)7-9(10,11)12/h13H,2-7H2,1H3.
What are the key properties of 2-(methylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
2-(methylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone has a molecular weight of 239.24 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 61260523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).