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

C10H19F3N4 — CID 62967531

IUPAC2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
SMILES[H]/N=C(\N)C(CC)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4/c1-2-8(9(14)15)17-5-3-16(4-6-17)7-10(11,12)13/h8H,2-7H2,1H3,(H3,14,15)
InChIKeyNNZRMHDVGZBDJE-UHFFFAOYSA-N
MW252.28 g/mol
LogP0.88
Rot. Bonds4

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

2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide (PubChem CID 62967531) has the molecular formula C10H19F3N4 and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide.

Molecular Properties

Compound Name2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
PubChem CID62967531
Molecular FormulaC10H19F3N4
Molecular Weight252.28 g/mol
Exact Mass252.16
IUPAC Name2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
SMILES[H]/N=C(\N)C(CC)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4/c1-2-8(9(14)15)17-5-3-16(4-6-17)7-10(11,12)13/h8H,2-7H2,1H3,(H3,14,15)
InChIKeyNNZRMHDVGZBDJE-UHFFFAOYSA-N
XLogP0.88
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 50.88
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-[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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide?
The IUPAC name of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide (CID 62967531) is 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide.
What is the SMILES notation for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide?
The canonical SMILES for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide is [H]/N=C(\N)C(CC)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide?
The InChIKey is NNZRMHDVGZBDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4/c1-2-8(9(14)15)17-5-3-16(4-6-17)7-10(11,12)13/h8H,2-7H2,1H3,(H3,14,15).
What are the key properties of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide?
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide has a molecular weight of 252.28 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide is sourced from PubChem (CID 62967531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).