ethyl 1-(3-azidopropyl)piperidine-3-carboxylate

C11H20N4O2 — CID 61396117

IUPACethyl 1-(3-azidopropyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCCN=[N+]=[N-])C1
InChIInChI=1S/C11H20N4O2/c1-2-17-11(16)10-5-3-7-15(9-10)8-4-6-13-14-12/h10H,2-9H2,1H3
InChIKeyXFLGAKPMDOAWFQ-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.96
Rot. Bonds6

About ethyl 1-(3-azidopropyl)piperidine-3-carboxylate

ethyl 1-(3-azidopropyl)piperidine-3-carboxylate (PubChem CID 61396117) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is ethyl 1-(3-azidopropyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-azidopropyl)piperidine-3-carboxylate
PubChem CID61396117
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Nameethyl 1-(3-azidopropyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCCN=[N+]=[N-])C1
InChIInChI=1S/C11H20N4O2/c1-2-17-11(16)10-5-3-7-15(9-10)8-4-6-13-14-12/h10H,2-9H2,1H3
InChIKeyXFLGAKPMDOAWFQ-UHFFFAOYSA-N
XLogP1.96
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ethyl 1-(3-azidopropyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(3-azidopropyl)piperidine-3-carboxylate (CID 61396117) is ethyl 1-(3-azidopropyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-azidopropyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-azidopropyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(CCCN=[N+]=[N-])C1.
What is the InChIKey of ethyl 1-(3-azidopropyl)piperidine-3-carboxylate?
The InChIKey is XFLGAKPMDOAWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-2-17-11(16)10-5-3-7-15(9-10)8-4-6-13-14-12/h10H,2-9H2,1H3.
What are the key properties of ethyl 1-(3-azidopropyl)piperidine-3-carboxylate?
ethyl 1-(3-azidopropyl)piperidine-3-carboxylate has a molecular weight of 240.31 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-azidopropyl)piperidine-3-carboxylate is sourced from PubChem (CID 61396117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).