N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide

C10H19F3N4O — CID 55139614

IUPACN'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
SMILESCC(C/C(N)=N/O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4O/c1-8(6-9(14)15-18)17-4-2-16(3-5-17)7-10(11,12)13/h8,18H,2-7H2,1H3,(H2,14,15)
InChIKeyFZEWYOFPJMRZLJ-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.69
Rot. Bonds4

About N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide

N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide (PubChem CID 55139614) has the molecular formula C10H19F3N4O and a molecular weight of 268.28 g/mol. Its IUPAC name is N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
PubChem CID55139614
Molecular FormulaC10H19F3N4O
Molecular Weight268.28 g/mol
Exact Mass268.15
IUPAC NameN'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
SMILESCC(C/C(N)=N/O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4O/c1-8(6-9(14)15-18)17-4-2-16(3-5-17)7-10(11,12)13/h8,18H,2-7H2,1H3,(H2,14,15)
InChIKeyFZEWYOFPJMRZLJ-UHFFFAOYSA-N
XLogP0.69
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide?
The IUPAC name of N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide (CID 55139614) is N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide is CC(C/C(N)=N/O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide?
The InChIKey is FZEWYOFPJMRZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O/c1-8(6-9(14)15-18)17-4-2-16(3-5-17)7-10(11,12)13/h8,18H,2-7H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide?
N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide has a molecular weight of 268.28 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide is sourced from PubChem (CID 55139614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).