N-(piperazin-1-ylmethylidene)hydroxylamine

C5H11N3O — CID 54223805

IUPACN-(piperazin-1-ylmethylidene)hydroxylamine
SMILESON=CN1CCNCC1
InChIInChI=1S/C5H11N3O/c9-7-5-8-3-1-6-2-4-8/h5-6,9H,1-4H2
InChIKeyQELLRNQXIRPLHD-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.69
Rot. Bonds1

About N-(piperazin-1-ylmethylidene)hydroxylamine

N-(piperazin-1-ylmethylidene)hydroxylamine (PubChem CID 54223805) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is N-(piperazin-1-ylmethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(piperazin-1-ylmethylidene)hydroxylamine
PubChem CID54223805
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC NameN-(piperazin-1-ylmethylidene)hydroxylamine
SMILESON=CN1CCNCC1
InChIInChI=1S/C5H11N3O/c9-7-5-8-3-1-6-2-4-8/h5-6,9H,1-4H2
InChIKeyQELLRNQXIRPLHD-UHFFFAOYSA-N
XLogP-0.69
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.69
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 N-(piperazin-1-ylmethylidene)hydroxylamine?
The IUPAC name of N-(piperazin-1-ylmethylidene)hydroxylamine (CID 54223805) is N-(piperazin-1-ylmethylidene)hydroxylamine.
What is the SMILES notation for N-(piperazin-1-ylmethylidene)hydroxylamine?
The canonical SMILES for N-(piperazin-1-ylmethylidene)hydroxylamine is ON=CN1CCNCC1.
What is the InChIKey of N-(piperazin-1-ylmethylidene)hydroxylamine?
The InChIKey is QELLRNQXIRPLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c9-7-5-8-3-1-6-2-4-8/h5-6,9H,1-4H2.
What are the key properties of N-(piperazin-1-ylmethylidene)hydroxylamine?
N-(piperazin-1-ylmethylidene)hydroxylamine has a molecular weight of 129.16 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperazin-1-ylmethylidene)hydroxylamine is sourced from PubChem (CID 54223805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).