piperazine-1-carboximidamide;hydroiodide

C5H13IN4 — CID 18946284

IUPACpiperazine-1-carboximidamide;hydroiodide
SMILESI.[H]/N=C(\N)N1CCNCC1
InChIInChI=1S/C5H12N4.HI/c6-5(7)9-3-1-8-2-4-9;/h8H,1-4H2,(H3,6,7);1H
InChIKeyOVAHOCGKPIJUCN-UHFFFAOYSA-N
MW256.09 g/mol
LogP-0.60
Rot. Bonds

About piperazine-1-carboximidamide;hydroiodide

piperazine-1-carboximidamide;hydroiodide (PubChem CID 18946284) has the molecular formula C5H13IN4 and a molecular weight of 256.09 g/mol. Its IUPAC name is piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Namepiperazine-1-carboximidamide;hydroiodide
PubChem CID18946284
Molecular FormulaC5H13IN4
Molecular Weight256.09 g/mol
Exact Mass256.02
IUPAC Namepiperazine-1-carboximidamide;hydroiodide
SMILESI.[H]/N=C(\N)N1CCNCC1
InChIInChI=1S/C5H12N4.HI/c6-5(7)9-3-1-8-2-4-9;/h8H,1-4H2,(H3,6,7);1H
InChIKeyOVAHOCGKPIJUCN-UHFFFAOYSA-N
XLogP-0.60
TPSA65.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of piperazine-1-carboximidamide;hydroiodide (CID 18946284) is piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for piperazine-1-carboximidamide;hydroiodide is I.[H]/N=C(\N)N1CCNCC1.
What is the InChIKey of piperazine-1-carboximidamide;hydroiodide?
The InChIKey is OVAHOCGKPIJUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4.HI/c6-5(7)9-3-1-8-2-4-9;/h8H,1-4H2,(H3,6,7);1H.
What are the key properties of piperazine-1-carboximidamide;hydroiodide?
piperazine-1-carboximidamide;hydroiodide has a molecular weight of 256.09 g/mol, XLogP of -0.60, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 18946284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).