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

C9H18F2N4O — CID 77012508

IUPAC2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N1CCN(CC(F)F)CC1
InChIInChI=1S/C9H18F2N4O/c1-7(9(12)13-16)15-4-2-14(3-5-15)6-8(10)11/h7-8,16H,2-6H2,1H3,(H2,12,13)
InChIKeyANFLOOQNYZHMIB-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.00
Rot. Bonds4

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

2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide (PubChem CID 77012508) has the molecular formula C9H18F2N4O and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide
PubChem CID77012508
Molecular FormulaC9H18F2N4O
Molecular Weight236.27 g/mol
Exact Mass236.14
IUPAC Name2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N1CCN(CC(F)F)CC1
InChIInChI=1S/C9H18F2N4O/c1-7(9(12)13-16)15-4-2-14(3-5-15)6-8(10)11/h7-8,16H,2-6H2,1H3,(H2,12,13)
InChIKeyANFLOOQNYZHMIB-UHFFFAOYSA-N
XLogP0.00
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.00
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

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
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]propanimidamide
CID 62967530
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]butanimidamide
CID 62967531
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
N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
CID 76209341
N'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanimidamide
CID 76912546
N'-hydroxy-2-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76914994
2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide
CID 76915224
N'-hydroxy-2-[propyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76915280

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide (CID 77012508) is 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide is CC(C(N)=NO)N1CCN(CC(F)F)CC1.
What is the InChIKey of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The InChIKey is ANFLOOQNYZHMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N4O/c1-7(9(12)13-16)15-4-2-14(3-5-15)6-8(10)11/h7-8,16H,2-6H2,1H3,(H2,12,13).
What are the key properties of 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide has a molecular weight of 236.27 g/mol, XLogP of 0.00, 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'-hydroxypropanimidamide is sourced from PubChem (CID 77012508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).