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

C9H16F3N3O — CID 43350786

IUPAC2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)CC(F)(F)F
InChIInChI=1S/C9H16F3N3O/c1-14(7-9(10,11)12)6-8(16)15-4-2-13-3-5-15/h13H,2-7H2,1H3
InChIKeyMGOIZUUJGVXUII-UHFFFAOYSA-N
MW239.24 g/mol
LogP-0.09
Rot. Bonds3

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

2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone (PubChem CID 43350786) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone
PubChem CID43350786
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)CC(F)(F)F
InChIInChI=1S/C9H16F3N3O/c1-14(7-9(10,11)12)6-8(16)15-4-2-13-3-5-15/h13H,2-7H2,1H3
InChIKeyMGOIZUUJGVXUII-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

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Related Compounds

N,N-dimethyl-2-(piperazin-1-yl)acetamide
CID 2758642
N-isopropyl-1-piperazineacetamide
CID 100826
1-Methyl-3-oxopiperazine
CID 13704283
1-Methylpiperazin-2-one
CID 4399042
Trifluoroacetylpiperazine
CID 7172020
N-Methyl-2-(4-methyl-3,5-dioxo-1-piperazinyl)acetamide
CID 373589
2-(Methylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 2574890
N-butyl-2-piperazin-1-yl-N-propylacetamide
CID 49853676
Oxamide, N-methyl-N'-[2-(4-piperazinyl)ethyl]-
CID 567248
N,N-diethyl-2-(piperazin-1-yl)acetamide
CID 7131630
1-Ethylpiperazin-2-one
CID 9877366
2-(Dimethylamino)-1-(piperazin-1-yl)ethan-1-one
CID 16770302

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone (CID 43350786) is 2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone is CN(CC(=O)N1CCNCC1)CC(F)(F)F.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone?
The InChIKey is MGOIZUUJGVXUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c1-14(7-9(10,11)12)6-8(16)15-4-2-13-3-5-15/h13H,2-7H2,1H3.
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone?
2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone 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-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 43350786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).