ethyl 4-azidopiperidine-4-carboxylate

C8H14N4O2 — CID 150250309

IUPACethyl 4-azidopiperidine-4-carboxylate
SMILESCCOC(=O)C1(N=[N+]=[N-])CCNCC1
InChIInChI=1S/C8H14N4O2/c1-2-14-7(13)8(11-12-9)3-5-10-6-4-8/h10H,2-6H2,1H3
InChIKeyFZKAAYKCPSEWMA-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.98
Rot. Bonds3

About ethyl 4-azidopiperidine-4-carboxylate

ethyl 4-azidopiperidine-4-carboxylate (PubChem CID 150250309) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is ethyl 4-azidopiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-azidopiperidine-4-carboxylate
PubChem CID150250309
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Nameethyl 4-azidopiperidine-4-carboxylate
SMILESCCOC(=O)C1(N=[N+]=[N-])CCNCC1
InChIInChI=1S/C8H14N4O2/c1-2-14-7(13)8(11-12-9)3-5-10-6-4-8/h10H,2-6H2,1H3
InChIKeyFZKAAYKCPSEWMA-UHFFFAOYSA-N
XLogP0.98
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
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-azidopiperidine-4-carboxylate?
The IUPAC name of ethyl 4-azidopiperidine-4-carboxylate (CID 150250309) is ethyl 4-azidopiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-azidopiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-azidopiperidine-4-carboxylate is CCOC(=O)C1(N=[N+]=[N-])CCNCC1.
What is the InChIKey of ethyl 4-azidopiperidine-4-carboxylate?
The InChIKey is FZKAAYKCPSEWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-2-14-7(13)8(11-12-9)3-5-10-6-4-8/h10H,2-6H2,1H3.
What are the key properties of ethyl 4-azidopiperidine-4-carboxylate?
ethyl 4-azidopiperidine-4-carboxylate has a molecular weight of 198.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-azidopiperidine-4-carboxylate is sourced from PubChem (CID 150250309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).