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

C10H21FN4O — CID 80693908

IUPAC2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide
SMILESCCC(C(N)=NO)N1CCN(CCF)CC1
InChIInChI=1S/C10H21FN4O/c1-2-9(10(12)13-16)15-7-5-14(4-3-11)6-8-15/h9,16H,2-8H2,1H3,(H2,12,13)
InChIKeyATFWQZYCOKTDOV-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.10
Rot. Bonds5

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

2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide (PubChem CID 80693908) has the molecular formula C10H21FN4O and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide
PubChem CID80693908
Molecular FormulaC10H21FN4O
Molecular Weight232.30 g/mol
Exact Mass232.17
IUPAC Name2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide
SMILESCCC(C(N)=NO)N1CCN(CCF)CC1
InChIInChI=1S/C10H21FN4O/c1-2-9(10(12)13-16)15-7-5-14(4-3-11)6-8-15/h9,16H,2-8H2,1H3,(H2,12,13)
InChIKeyATFWQZYCOKTDOV-UHFFFAOYSA-N
XLogP0.10
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.10
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'}

Analyze 2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-2-(4-pentylpiperazin-1-yl)butanimidamide
CID 77012073
N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide
CID 76915824
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 76915724
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide
CID 76915793
2-[4-(2-ethylsulfanylethyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 104863512
N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide
CID 77012111
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 77012475
N'-hydroxy-2-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]butanimidamide
CID 82833756
4-(1-amino-1-hydroxyiminobutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 104858959
N'-hydroxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]butanimidamide
CID 77059772
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 77012258
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]butanethioamide
CID 82888621

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide?
The IUPAC name of 2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide (CID 80693908) is 2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide?
The canonical SMILES for 2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide is CCC(C(N)=NO)N1CCN(CCF)CC1.
What is the InChIKey of 2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide?
The InChIKey is ATFWQZYCOKTDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN4O/c1-2-9(10(12)13-16)15-7-5-14(4-3-11)6-8-15/h9,16H,2-8H2,1H3,(H2,12,13).
What are the key properties of 2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide?
2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide has a molecular weight of 232.30 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide is sourced from PubChem (CID 80693908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).