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

C7H13F3N4O — CID 76979377

IUPACN'-hydroxy-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESNC(=NO)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C7H13F3N4O/c8-7(9,10)5-13-1-3-14(4-2-13)6(11)12-15/h15H,1-5H2,(H2,11,12)
InChIKeyRHHTYVMCSGVGNT-UHFFFAOYSA-N
MW226.20 g/mol
LogP-0.13
Rot. Bonds1

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

N'-hydroxy-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (PubChem CID 76979377) has the molecular formula C7H13F3N4O and a molecular weight of 226.20 g/mol. Its IUPAC name is N'-hydroxy-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
PubChem CID76979377
Molecular FormulaC7H13F3N4O
Molecular Weight226.20 g/mol
Exact Mass226.10
IUPAC NameN'-hydroxy-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESNC(=NO)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C7H13F3N4O/c8-7(9,10)5-13-1-3-14(4-2-13)6(11)12-15/h15H,1-5H2,(H2,11,12)
InChIKeyRHHTYVMCSGVGNT-UHFFFAOYSA-N
XLogP-0.13
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 5-0.13
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2,2,2-Trifluoroethyl)piperazine-1-carboximidamide
CID 62967567
N'-amino-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 77058538
4-(2-Fluoroethyl)-n'-hydroxypiperazine-1-carboximidamide
CID 164655808
N-hydroxy-4-methylpiperazine-1-carboximidamide
CID 62482673
CID 73851561
CID 73851561
CID 21864577
CID 21864577
4-ethyl-N-hydroxypiperazine-1-carboximidamide
CID 62481069
CID 76944221
CID 76944221

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The IUPAC name of N'-hydroxy-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (CID 76979377) is N'-hydroxy-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is NC(=NO)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N'-hydroxy-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The InChIKey is RHHTYVMCSGVGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N4O/c8-7(9,10)5-13-1-3-14(4-2-13)6(11)12-15/h15H,1-5H2,(H2,11,12).
What are the key properties of N'-hydroxy-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
N'-hydroxy-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide has a molecular weight of 226.20 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 76979377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).