1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]piperazine

C12H25N5O3 — CID 118226200

IUPAC1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]piperazine
SMILES[N-]=[N+]=NCCOCCOCCOCCN1CCNCC1
InChIInChI=1S/C12H25N5O3/c13-16-15-3-7-18-9-11-20-12-10-19-8-6-17-4-1-14-2-5-17/h14H,1-12H2
InChIKeyGVYLBCMPBXRUJW-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.25
Rot. Bonds12

About 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]piperazine

1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]piperazine (PubChem CID 118226200) has the molecular formula C12H25N5O3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]piperazine
PubChem CID118226200
Molecular FormulaC12H25N5O3
Molecular Weight287.36 g/mol
Exact Mass287.20
IUPAC Name1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]piperazine
SMILES[N-]=[N+]=NCCOCCOCCOCCN1CCNCC1
InChIInChI=1S/C12H25N5O3/c13-16-15-3-7-18-9-11-20-12-10-19-8-6-17-4-1-14-2-5-17/h14H,1-12H2
InChIKeyGVYLBCMPBXRUJW-UHFFFAOYSA-N
XLogP0.25
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]piperazine?
The IUPAC name of 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]piperazine (CID 118226200) is 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]piperazine.
What is the SMILES notation for 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]piperazine?
The canonical SMILES for 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]piperazine is [N-]=[N+]=NCCOCCOCCOCCN1CCNCC1.
What is the InChIKey of 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]piperazine?
The InChIKey is GVYLBCMPBXRUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O3/c13-16-15-3-7-18-9-11-20-12-10-19-8-6-17-4-1-14-2-5-17/h14H,1-12H2.
What are the key properties of 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]piperazine?
1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]piperazine has a molecular weight of 287.36 g/mol, XLogP of 0.25, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]piperazine is sourced from PubChem (CID 118226200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).