N-[4-(2-azidoethyl)piperazin-1-yl]hydroxylamine

C6H14N6O — CID 168826163

IUPACN-[4-(2-azidoethyl)piperazin-1-yl]hydroxylamine
SMILES[N-]=[N+]=NCCN1CCN(NO)CC1
InChIInChI=1S/C6H14N6O/c7-9-8-1-2-11-3-5-12(10-13)6-4-11/h10,13H,1-6H2
InChIKeyMUPXLEJWYMXEMB-UHFFFAOYSA-N
MW186.22 g/mol
LogP-0.19
Rot. Bonds4

About N-[4-(2-azidoethyl)piperazin-1-yl]hydroxylamine

N-[4-(2-azidoethyl)piperazin-1-yl]hydroxylamine (PubChem CID 168826163) has the molecular formula C6H14N6O and a molecular weight of 186.22 g/mol. Its IUPAC name is N-[4-(2-azidoethyl)piperazin-1-yl]hydroxylamine.

Molecular Properties

Compound NameN-[4-(2-azidoethyl)piperazin-1-yl]hydroxylamine
PubChem CID168826163
Molecular FormulaC6H14N6O
Molecular Weight186.22 g/mol
Exact Mass186.12
IUPAC NameN-[4-(2-azidoethyl)piperazin-1-yl]hydroxylamine
SMILES[N-]=[N+]=NCCN1CCN(NO)CC1
InChIInChI=1S/C6H14N6O/c7-9-8-1-2-11-3-5-12(10-13)6-4-11/h10,13H,1-6H2
InChIKeyMUPXLEJWYMXEMB-UHFFFAOYSA-N
XLogP-0.19
TPSA87.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-azidoethyl)piperazin-1-yl]hydroxylamine?
The IUPAC name of N-[4-(2-azidoethyl)piperazin-1-yl]hydroxylamine (CID 168826163) is N-[4-(2-azidoethyl)piperazin-1-yl]hydroxylamine.
What is the SMILES notation for N-[4-(2-azidoethyl)piperazin-1-yl]hydroxylamine?
The canonical SMILES for N-[4-(2-azidoethyl)piperazin-1-yl]hydroxylamine is [N-]=[N+]=NCCN1CCN(NO)CC1.
What is the InChIKey of N-[4-(2-azidoethyl)piperazin-1-yl]hydroxylamine?
The InChIKey is MUPXLEJWYMXEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N6O/c7-9-8-1-2-11-3-5-12(10-13)6-4-11/h10,13H,1-6H2.
What are the key properties of N-[4-(2-azidoethyl)piperazin-1-yl]hydroxylamine?
N-[4-(2-azidoethyl)piperazin-1-yl]hydroxylamine has a molecular weight of 186.22 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-azidoethyl)piperazin-1-yl]hydroxylamine is sourced from PubChem (CID 168826163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).