2,2-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide

C12H23F3N4 — CID 65252346

IUPAC2,2-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N4/c1-11(2,10(16)17)3-4-18-5-7-19(8-6-18)9-12(13,14)15/h3-9H2,1-2H3,(H3,16,17)
InChIKeySLOFQHWPRFYNQL-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.52
Rot. Bonds5

About 2,2-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide

2,2-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide (PubChem CID 65252346) has the molecular formula C12H23F3N4 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2,2-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
PubChem CID65252346
Molecular FormulaC12H23F3N4
Molecular Weight280.34 g/mol
Exact Mass280.19
IUPAC Name2,2-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N4/c1-11(2,10(16)17)3-4-18-5-7-19(8-6-18)9-12(13,14)15/h3-9H2,1-2H3,(H3,16,17)
InChIKeySLOFQHWPRFYNQL-UHFFFAOYSA-N
XLogP1.52
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide 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

4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]butanimidamide
CID 55139805
2,2-Dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine
CID 55158437
4-[Ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide
CID 65252134
2,2-Dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 65252341
2,2-Dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 65252795
2,2-Dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide
CID 65258090
2,2-Dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 65536459
2,2-Dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide
CID 65537420
2,2-Dimethyl-4-[methyl(3,3,3-trifluoropropyl)amino]butanimidamide
CID 65538004
2,2-Dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]butanimidamide
CID 65539154
N'-hydroxy-2,2-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
CID 77061860
2,2-Dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexanimidamide
CID 106712101

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide?
The IUPAC name of 2,2-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide (CID 65252346) is 2,2-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide.
What is the SMILES notation for 2,2-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide?
The canonical SMILES for 2,2-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide is [H]/N=C(\N)C(C)(C)CCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2,2-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide?
The InChIKey is SLOFQHWPRFYNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N4/c1-11(2,10(16)17)3-4-18-5-7-19(8-6-18)9-12(13,14)15/h3-9H2,1-2H3,(H3,16,17).
What are the key properties of 2,2-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide?
2,2-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide has a molecular weight of 280.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide is sourced from PubChem (CID 65252346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).