N'-hydroxypiperazine-1-carboximidamide

C5H12N4O — CID 54408526

IUPACN'-hydroxypiperazine-1-carboximidamide
SMILESNC(=NO)N1CCNCC1
InChIInChI=1S/C5H12N4O/c6-5(8-10)9-3-1-7-2-4-9/h7,10H,1-4H2,(H2,6,8)
InChIKeyVSLNVKYSUNXZCW-UHFFFAOYSA-N
MW144.18 g/mol
LogP-1.40
Rot. Bonds

About N'-hydroxypiperazine-1-carboximidamide

N'-hydroxypiperazine-1-carboximidamide (PubChem CID 54408526) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is N'-hydroxypiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxypiperazine-1-carboximidamide
PubChem CID54408526
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC NameN'-hydroxypiperazine-1-carboximidamide
SMILESNC(=NO)N1CCNCC1
InChIInChI=1S/C5H12N4O/c6-5(8-10)9-3-1-7-2-4-9/h7,10H,1-4H2,(H2,6,8)
InChIKeyVSLNVKYSUNXZCW-UHFFFAOYSA-N
XLogP-1.40
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
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 N'-hydroxypiperazine-1-carboximidamide?
The IUPAC name of N'-hydroxypiperazine-1-carboximidamide (CID 54408526) is N'-hydroxypiperazine-1-carboximidamide.
What is the SMILES notation for N'-hydroxypiperazine-1-carboximidamide?
The canonical SMILES for N'-hydroxypiperazine-1-carboximidamide is NC(=NO)N1CCNCC1.
What is the InChIKey of N'-hydroxypiperazine-1-carboximidamide?
The InChIKey is VSLNVKYSUNXZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O/c6-5(8-10)9-3-1-7-2-4-9/h7,10H,1-4H2,(H2,6,8).
What are the key properties of N'-hydroxypiperazine-1-carboximidamide?
N'-hydroxypiperazine-1-carboximidamide has a molecular weight of 144.18 g/mol, XLogP of -1.40, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxypiperazine-1-carboximidamide is sourced from PubChem (CID 54408526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).