4-ethyl-N'-hydroxypiperazine-1-carboximidamide

C7H16N4O — CID 62481069

IUPAC4-ethyl-N'-hydroxypiperazine-1-carboximidamide
SMILESCCN1CCN(/C(N)=N/O)CC1
InChIInChI=1S/C7H16N4O/c1-2-10-3-5-11(6-4-10)7(8)9-12/h12H,2-6H2,1H3,(H2,8,9)
InChIKeyKEHSSQYFZSPZOO-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.67
Rot. Bonds1

About 4-ethyl-N'-hydroxypiperazine-1-carboximidamide

4-ethyl-N'-hydroxypiperazine-1-carboximidamide (PubChem CID 62481069) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-ethyl-N'-hydroxypiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-ethyl-N'-hydroxypiperazine-1-carboximidamide
PubChem CID62481069
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Name4-ethyl-N'-hydroxypiperazine-1-carboximidamide
SMILESCCN1CCN(/C(N)=N/O)CC1
InChIInChI=1S/C7H16N4O/c1-2-10-3-5-11(6-4-10)7(8)9-12/h12H,2-6H2,1H3,(H2,8,9)
InChIKeyKEHSSQYFZSPZOO-UHFFFAOYSA-N
XLogP-0.67
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.67
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-ethyl-N'-hydroxypiperazine-1-carboximidamide?
The IUPAC name of 4-ethyl-N'-hydroxypiperazine-1-carboximidamide (CID 62481069) is 4-ethyl-N'-hydroxypiperazine-1-carboximidamide.
What is the SMILES notation for 4-ethyl-N'-hydroxypiperazine-1-carboximidamide?
The canonical SMILES for 4-ethyl-N'-hydroxypiperazine-1-carboximidamide is CCN1CCN(/C(N)=N/O)CC1.
What is the InChIKey of 4-ethyl-N'-hydroxypiperazine-1-carboximidamide?
The InChIKey is KEHSSQYFZSPZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O/c1-2-10-3-5-11(6-4-10)7(8)9-12/h12H,2-6H2,1H3,(H2,8,9).
What are the key properties of 4-ethyl-N'-hydroxypiperazine-1-carboximidamide?
4-ethyl-N'-hydroxypiperazine-1-carboximidamide has a molecular weight of 172.23 g/mol, XLogP of -0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-hydroxypiperazine-1-carboximidamide is sourced from PubChem (CID 62481069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).