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

C9H19FN4O — CID 80693768

IUPAC2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N1CCN(CCF)CC1
InChIInChI=1S/C9H19FN4O/c1-8(9(11)12-15)14-6-4-13(3-2-10)5-7-14/h8,15H,2-7H2,1H3,(H2,11,12)
InChIKeyFJCWYSCVLUMKCQ-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.29
Rot. Bonds4

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

2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide (PubChem CID 80693768) has the molecular formula C9H19FN4O and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide
PubChem CID80693768
Molecular FormulaC9H19FN4O
Molecular Weight218.28 g/mol
Exact Mass218.15
IUPAC Name2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N1CCN(CCF)CC1
InChIInChI=1S/C9H19FN4O/c1-8(9(11)12-15)14-6-4-13(3-2-10)5-7-14/h8,15H,2-7H2,1H3,(H2,11,12)
InChIKeyFJCWYSCVLUMKCQ-UHFFFAOYSA-N
XLogP-0.29
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.29
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'-hydroxypropanimidamide?
The IUPAC name of 2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide (CID 80693768) is 2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide is CC(C(N)=NO)N1CCN(CCF)CC1.
What is the InChIKey of 2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The InChIKey is FJCWYSCVLUMKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN4O/c1-8(9(11)12-15)14-6-4-13(3-2-10)5-7-14/h8,15H,2-7H2,1H3,(H2,11,12).
What are the key properties of 2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxypropanimidamide has a molecular weight of 218.28 g/mol, XLogP of -0.29, 4 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'-hydroxypropanimidamide is sourced from PubChem (CID 80693768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).