4-(2-fluoroethyl)-N'-hydroxypiperazine-1-carboximidamide

C7H15FN4O — CID 164655808

IUPAC4-(2-fluoroethyl)-N'-hydroxypiperazine-1-carboximidamide
SMILESN/C(=N\O)N1CCN(CCF)CC1
InChIInChI=1S/C7H15FN4O/c8-1-2-11-3-5-12(6-4-11)7(9)10-13/h13H,1-6H2,(H2,9,10)
InChIKeyLGIJLBVSTCQAQX-UHFFFAOYSA-N
MW190.22 g/mol
LogP-0.72
Rot. Bonds2

About 4-(2-fluoroethyl)-N'-hydroxypiperazine-1-carboximidamide

4-(2-fluoroethyl)-N'-hydroxypiperazine-1-carboximidamide (PubChem CID 164655808) has the molecular formula C7H15FN4O and a molecular weight of 190.22 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-N'-hydroxypiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(2-fluoroethyl)-N'-hydroxypiperazine-1-carboximidamide
PubChem CID164655808
Molecular FormulaC7H15FN4O
Molecular Weight190.22 g/mol
Exact Mass190.12
IUPAC Name4-(2-fluoroethyl)-N'-hydroxypiperazine-1-carboximidamide
SMILESN/C(=N\O)N1CCN(CCF)CC1
InChIInChI=1S/C7H15FN4O/c8-1-2-11-3-5-12(6-4-11)7(9)10-13/h13H,1-6H2,(H2,9,10)
InChIKeyLGIJLBVSTCQAQX-UHFFFAOYSA-N
XLogP-0.72
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(2-fluoroethyl)-N'-hydroxypiperazine-1-carboximidamide?
The IUPAC name of 4-(2-fluoroethyl)-N'-hydroxypiperazine-1-carboximidamide (CID 164655808) is 4-(2-fluoroethyl)-N'-hydroxypiperazine-1-carboximidamide.
What is the SMILES notation for 4-(2-fluoroethyl)-N'-hydroxypiperazine-1-carboximidamide?
The canonical SMILES for 4-(2-fluoroethyl)-N'-hydroxypiperazine-1-carboximidamide is N/C(=N\O)N1CCN(CCF)CC1.
What is the InChIKey of 4-(2-fluoroethyl)-N'-hydroxypiperazine-1-carboximidamide?
The InChIKey is LGIJLBVSTCQAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN4O/c8-1-2-11-3-5-12(6-4-11)7(9)10-13/h13H,1-6H2,(H2,9,10).
What are the key properties of 4-(2-fluoroethyl)-N'-hydroxypiperazine-1-carboximidamide?
4-(2-fluoroethyl)-N'-hydroxypiperazine-1-carboximidamide has a molecular weight of 190.22 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-N'-hydroxypiperazine-1-carboximidamide is sourced from PubChem (CID 164655808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).