N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide

C8H15F3N4 — CID 62967433

IUPACN'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESC/N=C(\N)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N4/c1-13-7(12)15-4-2-14(3-5-15)6-8(9,10)11/h2-6H2,1H3,(H2,12,13)
InChIKeyOEHJEGLEXUTOAG-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.11
Rot. Bonds1

About N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide

N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (PubChem CID 62967433) has the molecular formula C8H15F3N4 and a molecular weight of 224.23 g/mol. Its IUPAC name is N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
PubChem CID62967433
Molecular FormulaC8H15F3N4
Molecular Weight224.23 g/mol
Exact Mass224.12
IUPAC NameN'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESC/N=C(\N)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N4/c1-13-7(12)15-4-2-14(3-5-15)6-8(9,10)11/h2-6H2,1H3,(H2,12,13)
InChIKeyOEHJEGLEXUTOAG-UHFFFAOYSA-N
XLogP0.11
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The IUPAC name of N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (CID 62967433) is N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is C/N=C(\N)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The InChIKey is OEHJEGLEXUTOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N4/c1-13-7(12)15-4-2-14(3-5-15)6-8(9,10)11/h2-6H2,1H3,(H2,12,13).
What are the key properties of N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide has a molecular weight of 224.23 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 62967433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).