4-azido-1-(furan-2-yl)piperidine

C9H12N4O — CID 141258969

IUPAC4-azido-1-(furan-2-yl)piperidine
SMILES[N-]=[N+]=NC1CCN(c2ccco2)CC1
InChIInChI=1S/C9H12N4O/c10-12-11-8-3-5-13(6-4-8)9-2-1-7-14-9/h1-2,7-8H,3-6H2
InChIKeyPIFDKLUUWZHBKX-UHFFFAOYSA-N
MW192.22 g/mol
LogP2.56
Rot. Bonds2

About 4-azido-1-(furan-2-yl)piperidine

4-azido-1-(furan-2-yl)piperidine (PubChem CID 141258969) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-azido-1-(furan-2-yl)piperidine.

Molecular Properties

Compound Name4-azido-1-(furan-2-yl)piperidine
PubChem CID141258969
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name4-azido-1-(furan-2-yl)piperidine
SMILES[N-]=[N+]=NC1CCN(c2ccco2)CC1
InChIInChI=1S/C9H12N4O/c10-12-11-8-3-5-13(6-4-8)9-2-1-7-14-9/h1-2,7-8H,3-6H2
InChIKeyPIFDKLUUWZHBKX-UHFFFAOYSA-N
XLogP2.56
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 52.56
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 4-azido-1-(furan-2-yl)piperidine?
The IUPAC name of 4-azido-1-(furan-2-yl)piperidine (CID 141258969) is 4-azido-1-(furan-2-yl)piperidine.
What is the SMILES notation for 4-azido-1-(furan-2-yl)piperidine?
The canonical SMILES for 4-azido-1-(furan-2-yl)piperidine is [N-]=[N+]=NC1CCN(c2ccco2)CC1.
What is the InChIKey of 4-azido-1-(furan-2-yl)piperidine?
The InChIKey is PIFDKLUUWZHBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c10-12-11-8-3-5-13(6-4-8)9-2-1-7-14-9/h1-2,7-8H,3-6H2.
What are the key properties of 4-azido-1-(furan-2-yl)piperidine?
4-azido-1-(furan-2-yl)piperidine has a molecular weight of 192.22 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-(furan-2-yl)piperidine is sourced from PubChem (CID 141258969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).