hydroxylamine;piperazine

C4H13N3O — CID 172832939

IUPAChydroxylamine;piperazine
SMILESC1CNCCN1.NO
InChIInChI=1S/C4H10N2.H3NO/c1-2-6-4-3-5-1;1-2/h5-6H,1-4H2;2H,1H2
InChIKeyVTIUKEAFYDHRHB-UHFFFAOYSA-N
MW119.17 g/mol
LogP-1.49
Rot. Bonds

About hydroxylamine;piperazine

hydroxylamine;piperazine (PubChem CID 172832939) has the molecular formula C4H13N3O and a molecular weight of 119.17 g/mol. Its IUPAC name is hydroxylamine;piperazine.

Molecular Properties

Compound Namehydroxylamine;piperazine
PubChem CID172832939
Molecular FormulaC4H13N3O
Molecular Weight119.17 g/mol
Exact Mass119.11
IUPAC Namehydroxylamine;piperazine
SMILESC1CNCCN1.NO
InChIInChI=1S/C4H10N2.H3NO/c1-2-6-4-3-5-1;1-2/h5-6H,1-4H2;2H,1H2
InChIKeyVTIUKEAFYDHRHB-UHFFFAOYSA-N
XLogP-1.49
TPSA70.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxylamine;piperazine?
The IUPAC name of hydroxylamine;piperazine (CID 172832939) is hydroxylamine;piperazine.
What is the SMILES notation for hydroxylamine;piperazine?
The canonical SMILES for hydroxylamine;piperazine is C1CNCCN1.NO.
What is the InChIKey of hydroxylamine;piperazine?
The InChIKey is VTIUKEAFYDHRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.H3NO/c1-2-6-4-3-5-1;1-2/h5-6H,1-4H2;2H,1H2.
What are the key properties of hydroxylamine;piperazine?
hydroxylamine;piperazine has a molecular weight of 119.17 g/mol, XLogP of -1.49, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxylamine;piperazine is sourced from PubChem (CID 172832939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).