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

C7H14F3N5 — CID 77058538

IUPACN'-amino-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESNN=C(N)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C7H14F3N5/c8-7(9,10)5-14-1-3-15(4-2-14)6(11)13-12/h1-5,12H2,(H2,11,13)
InChIKeyQZBAFTMOXMLQGK-UHFFFAOYSA-N
MW225.22 g/mol
LogP-0.65
Rot. Bonds1

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

N'-amino-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (PubChem CID 77058538) has the molecular formula C7H14F3N5 and a molecular weight of 225.22 g/mol. Its IUPAC name is N'-amino-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-amino-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
PubChem CID77058538
Molecular FormulaC7H14F3N5
Molecular Weight225.22 g/mol
Exact Mass225.12
IUPAC NameN'-amino-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESNN=C(N)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C7H14F3N5/c8-7(9,10)5-14-1-3-15(4-2-14)6(11)13-12/h1-5,12H2,(H2,11,13)
InChIKeyQZBAFTMOXMLQGK-UHFFFAOYSA-N
XLogP-0.65
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The IUPAC name of N'-amino-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (CID 77058538) is N'-amino-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-amino-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-amino-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is NN=C(N)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N'-amino-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The InChIKey is QZBAFTMOXMLQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N5/c8-7(9,10)5-14-1-3-15(4-2-14)6(11)13-12/h1-5,12H2,(H2,11,13).
What are the key properties of N'-amino-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
N'-amino-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide has a molecular weight of 225.22 g/mol, XLogP of -0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 77058538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).