3-(4-azidophenoxy)-1-ethylpiperidine

C13H18N4O — CID 151164549

IUPAC3-(4-azidophenoxy)-1-ethylpiperidine
SMILESCCN1CCCC(Oc2ccc(N=[N+]=[N-])cc2)C1
InChIInChI=1S/C13H18N4O/c1-2-17-9-3-4-13(10-17)18-12-7-5-11(6-8-12)15-16-14/h5-8,13H,2-4,9-10H2,1H3
InChIKeyNAYXYDIYYQIQJB-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.49
Rot. Bonds4

About 3-(4-azidophenoxy)-1-ethylpiperidine

3-(4-azidophenoxy)-1-ethylpiperidine (PubChem CID 151164549) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(4-azidophenoxy)-1-ethylpiperidine.

Molecular Properties

Compound Name3-(4-azidophenoxy)-1-ethylpiperidine
PubChem CID151164549
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-(4-azidophenoxy)-1-ethylpiperidine
SMILESCCN1CCCC(Oc2ccc(N=[N+]=[N-])cc2)C1
InChIInChI=1S/C13H18N4O/c1-2-17-9-3-4-13(10-17)18-12-7-5-11(6-8-12)15-16-14/h5-8,13H,2-4,9-10H2,1H3
InChIKeyNAYXYDIYYQIQJB-UHFFFAOYSA-N
XLogP3.49
TPSA61.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.49
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'}

Analyze 3-(4-azidophenoxy)-1-ethylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-azidophenoxy)-1-ethylpiperidine?
The IUPAC name of 3-(4-azidophenoxy)-1-ethylpiperidine (CID 151164549) is 3-(4-azidophenoxy)-1-ethylpiperidine.
What is the SMILES notation for 3-(4-azidophenoxy)-1-ethylpiperidine?
The canonical SMILES for 3-(4-azidophenoxy)-1-ethylpiperidine is CCN1CCCC(Oc2ccc(N=[N+]=[N-])cc2)C1.
What is the InChIKey of 3-(4-azidophenoxy)-1-ethylpiperidine?
The InChIKey is NAYXYDIYYQIQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-17-9-3-4-13(10-17)18-12-7-5-11(6-8-12)15-16-14/h5-8,13H,2-4,9-10H2,1H3.
What are the key properties of 3-(4-azidophenoxy)-1-ethylpiperidine?
3-(4-azidophenoxy)-1-ethylpiperidine has a molecular weight of 246.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-azidophenoxy)-1-ethylpiperidine is sourced from PubChem (CID 151164549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).