ethyl 4-(2-azidoethyl)piperazine-1-carboxylate

C9H17N5O2 — CID 107877648

IUPACethyl 4-(2-azidoethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCN=[N+]=[N-])CC1
InChIInChI=1S/C9H17N5O2/c1-2-16-9(15)14-7-5-13(6-8-14)4-3-11-12-10/h2-8H2,1H3
InChIKeyKOZAGKFZGUKGFK-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.07
Rot. Bonds4

About ethyl 4-(2-azidoethyl)piperazine-1-carboxylate

ethyl 4-(2-azidoethyl)piperazine-1-carboxylate (PubChem CID 107877648) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is ethyl 4-(2-azidoethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-azidoethyl)piperazine-1-carboxylate
PubChem CID107877648
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Nameethyl 4-(2-azidoethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCN=[N+]=[N-])CC1
InChIInChI=1S/C9H17N5O2/c1-2-16-9(15)14-7-5-13(6-8-14)4-3-11-12-10/h2-8H2,1H3
InChIKeyKOZAGKFZGUKGFK-UHFFFAOYSA-N
XLogP1.07
TPSA81.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ethyl 4-(2-azidoethyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-azidoethyl)piperazine-1-carboxylate (CID 107877648) is ethyl 4-(2-azidoethyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-azidoethyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-azidoethyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(CCN=[N+]=[N-])CC1.
What is the InChIKey of ethyl 4-(2-azidoethyl)piperazine-1-carboxylate?
The InChIKey is KOZAGKFZGUKGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-2-16-9(15)14-7-5-13(6-8-14)4-3-11-12-10/h2-8H2,1H3.
What are the key properties of ethyl 4-(2-azidoethyl)piperazine-1-carboxylate?
ethyl 4-(2-azidoethyl)piperazine-1-carboxylate has a molecular weight of 227.27 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-azidoethyl)piperazine-1-carboxylate is sourced from PubChem (CID 107877648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).