2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride

C9H17ClF3N3O — CID 119915085

IUPAC2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)CC(F)(F)F.Cl
InChIInChI=1S/C9H16F3N3O.ClH/c1-14(7-9(10,11)12)6-8(16)15-4-2-13-3-5-15;/h13H,2-7H2,1H3;1H
InChIKeyOPMCOINNDKPBDN-UHFFFAOYSA-N
MW275.70 g/mol
LogP0.33
Rot. Bonds3

About 2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride

2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride (PubChem CID 119915085) has the molecular formula C9H17ClF3N3O and a molecular weight of 275.70 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride
PubChem CID119915085
Molecular FormulaC9H17ClF3N3O
Molecular Weight275.70 g/mol
Exact Mass275.10
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)CC(F)(F)F.Cl
InChIInChI=1S/C9H16F3N3O.ClH/c1-14(7-9(10,11)12)6-8(16)15-4-2-13-3-5-15;/h13H,2-7H2,1H3;1H
InChIKeyOPMCOINNDKPBDN-UHFFFAOYSA-N
XLogP0.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride 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

2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915067
2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 61325591
2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 81113401
2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 172785490
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
1-(1,4-diazepan-1-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010945
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
N-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54904322
3-[ethyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 55085623
N-ethyl-N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54903788
N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-propan-2-ylacetamide
CID 54904152
N-cyclopropyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914949

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride (CID 119915085) is 2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride is CN(CC(=O)N1CCNCC1)CC(F)(F)F.Cl.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride?
The InChIKey is OPMCOINNDKPBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O.ClH/c1-14(7-9(10,11)12)6-8(16)15-4-2-13-3-5-15;/h13H,2-7H2,1H3;1H.
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride?
2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride has a molecular weight of 275.70 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride is sourced from PubChem (CID 119915085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).