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

C10H20F2N4O — CID 77012158

IUPAC2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide
SMILESCCC(C(N)=NO)N1CCN(CC(F)F)CC1
InChIInChI=1S/C10H20F2N4O/c1-2-8(10(13)14-17)16-5-3-15(4-6-16)7-9(11)12/h8-9,17H,2-7H2,1H3,(H2,13,14)
InChIKeyYAIAJIUGAFULTQ-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.39
Rot. Bonds5

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

2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide (PubChem CID 77012158) 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'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide
PubChem CID77012158
Molecular FormulaC10H20F2N4O
Molecular Weight250.29 g/mol
Exact Mass250.16
IUPAC Name2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide
SMILESCCC(C(N)=NO)N1CCN(CC(F)F)CC1
InChIInChI=1S/C10H20F2N4O/c1-2-8(10(13)14-17)16-5-3-15(4-6-16)7-9(11)12/h8-9,17H,2-7H2,1H3,(H2,13,14)
InChIKeyYAIAJIUGAFULTQ-UHFFFAOYSA-N
XLogP0.39
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

CID 146385627
CID 146385627
Piperidinopropioamidoxime
CID 76175176
e-Piperidinopropioamidoxime
CID 129771937
N'-hydroxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
CID 55139613
N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
CID 55139614
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 55201587
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]butanimidamide
CID 62967358
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]propanimidamide
CID 62967530
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]butanimidamide
CID 62967531
N'-hydroxy-2-[3-(trifluoromethyl)piperidin-1-yl]butanimidamide
CID 65538437
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 76174765
N'-hydroxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
CID 76209340

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide?
The IUPAC name of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide (CID 77012158) is 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide?
The canonical SMILES for 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide is CCC(C(N)=NO)N1CCN(CC(F)F)CC1.
What is the InChIKey of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide?
The InChIKey is YAIAJIUGAFULTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N4O/c1-2-8(10(13)14-17)16-5-3-15(4-6-16)7-9(11)12/h8-9,17H,2-7H2,1H3,(H2,13,14).
What are the key properties of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide?
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide has a molecular weight of 250.29 g/mol, XLogP of 0.39, 5 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'-hydroxybutanimidamide is sourced from PubChem (CID 77012158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).