2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide

C10H20F2N4O — CID 55201587

IUPAC2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(/C(N)=N/O)N1CCN(CC(F)F)CC1
InChIInChI=1S/C10H20F2N4O/c1-10(2,9(13)14-17)16-5-3-15(4-6-16)7-8(11)12/h8,17H,3-7H2,1-2H3,(H2,13,14)
InChIKeyOGZLBCSELWHAHZ-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.39
Rot. Bonds4

About 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide

2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 55201587) has the molecular formula C10H20F2N4O and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
PubChem CID55201587
Molecular FormulaC10H20F2N4O
Molecular Weight250.29 g/mol
Exact Mass250.16
IUPAC Name2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(/C(N)=N/O)N1CCN(CC(F)F)CC1
InChIInChI=1S/C10H20F2N4O/c1-10(2,9(13)14-17)16-5-3-15(4-6-16)7-8(11)12/h8,17H,3-7H2,1-2H3,(H2,13,14)
InChIKeyOGZLBCSELWHAHZ-UHFFFAOYSA-N
XLogP0.39
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.39
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 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide (CID 55201587) is 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide is CC(C)(/C(N)=N/O)N1CCN(CC(F)F)CC1.
What is the InChIKey of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is OGZLBCSELWHAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N4O/c1-10(2,9(13)14-17)16-5-3-15(4-6-16)7-8(11)12/h8,17H,3-7H2,1-2H3,(H2,13,14).
What are the key properties of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide?
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 250.29 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 55201587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).