1-(2-azidoethyl)-4-ethylpiperazine

C8H17N5 — CID 61396790

IUPAC1-(2-azidoethyl)-4-ethylpiperazine
SMILESCCN1CCN(CCN=[N+]=[N-])CC1
InChIInChI=1S/C8H17N5/c1-2-12-5-7-13(8-6-12)4-3-10-11-9/h2-8H2,1H3
InChIKeyROGNKFSPRRCSJT-UHFFFAOYSA-N
MW183.26 g/mol
LogP0.93
Rot. Bonds4

About 1-(2-azidoethyl)-4-ethylpiperazine

1-(2-azidoethyl)-4-ethylpiperazine (PubChem CID 61396790) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is 1-(2-azidoethyl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(2-azidoethyl)-4-ethylpiperazine
PubChem CID61396790
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC Name1-(2-azidoethyl)-4-ethylpiperazine
SMILESCCN1CCN(CCN=[N+]=[N-])CC1
InChIInChI=1S/C8H17N5/c1-2-12-5-7-13(8-6-12)4-3-10-11-9/h2-8H2,1H3
InChIKeyROGNKFSPRRCSJT-UHFFFAOYSA-N
XLogP0.93
TPSA55.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethyl)-4-ethylpiperazine?
The IUPAC name of 1-(2-azidoethyl)-4-ethylpiperazine (CID 61396790) is 1-(2-azidoethyl)-4-ethylpiperazine.
What is the SMILES notation for 1-(2-azidoethyl)-4-ethylpiperazine?
The canonical SMILES for 1-(2-azidoethyl)-4-ethylpiperazine is CCN1CCN(CCN=[N+]=[N-])CC1.
What is the InChIKey of 1-(2-azidoethyl)-4-ethylpiperazine?
The InChIKey is ROGNKFSPRRCSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5/c1-2-12-5-7-13(8-6-12)4-3-10-11-9/h2-8H2,1H3.
What are the key properties of 1-(2-azidoethyl)-4-ethylpiperazine?
1-(2-azidoethyl)-4-ethylpiperazine has a molecular weight of 183.26 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-4-ethylpiperazine is sourced from PubChem (CID 61396790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).