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

C11H23FN4O — CID 80693909

IUPAC2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypentanimidamide
SMILESCCCC(C(N)=NO)N1CCN(CCF)CC1
InChIInChI=1S/C11H23FN4O/c1-2-3-10(11(13)14-17)16-8-6-15(5-4-12)7-9-16/h10,17H,2-9H2,1H3,(H2,13,14)
InChIKeyNZPQCGUPLKECDY-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.49
Rot. Bonds6

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

2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypentanimidamide (PubChem CID 80693909) has the molecular formula C11H23FN4O and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypentanimidamide
PubChem CID80693909
Molecular FormulaC11H23FN4O
Molecular Weight246.33 g/mol
Exact Mass246.19
IUPAC Name2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypentanimidamide
SMILESCCCC(C(N)=NO)N1CCN(CCF)CC1
InChIInChI=1S/C11H23FN4O/c1-2-3-10(11(13)14-17)16-8-6-15(5-4-12)7-9-16/h10,17H,2-9H2,1H3,(H2,13,14)
InChIKeyNZPQCGUPLKECDY-UHFFFAOYSA-N
XLogP0.49
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.49
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-fluoroethyl)piperazin-1-yl]-N'-hydroxypentanimidamide?
The IUPAC name of 2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypentanimidamide (CID 80693909) is 2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypentanimidamide.
What is the SMILES notation for 2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypentanimidamide?
The canonical SMILES for 2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypentanimidamide is CCCC(C(N)=NO)N1CCN(CCF)CC1.
What is the InChIKey of 2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypentanimidamide?
The InChIKey is NZPQCGUPLKECDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN4O/c1-2-3-10(11(13)14-17)16-8-6-15(5-4-12)7-9-16/h10,17H,2-9H2,1H3,(H2,13,14).
What are the key properties of 2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypentanimidamide?
2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypentanimidamide has a molecular weight of 246.33 g/mol, XLogP of 0.49, 6 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'-hydroxypentanimidamide is sourced from PubChem (CID 80693909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).