1-(7-fluoro-3-methoxyhepta-2,4,6-trienyl)piperidine

C13H20FNO — CID 123388373

IUPAC1-(7-fluoro-3-methoxyhepta-2,4,6-trienyl)piperidine
SMILESCOC(C=CC=CF)=CCN1CCCCC1
InChIInChI=1S/C13H20FNO/c1-16-13(7-3-4-9-14)8-12-15-10-5-2-6-11-15/h3-4,7-9H,2,5-6,10-12H2,1H3
InChIKeyIIUDGEZXWWARAA-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.04
Rot. Bonds5

About 1-(7-fluoro-3-methoxyhepta-2,4,6-trienyl)piperidine

1-(7-fluoro-3-methoxyhepta-2,4,6-trienyl)piperidine (PubChem CID 123388373) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(7-fluoro-3-methoxyhepta-2,4,6-trienyl)piperidine.

Molecular Properties

Compound Name1-(7-fluoro-3-methoxyhepta-2,4,6-trienyl)piperidine
PubChem CID123388373
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(7-fluoro-3-methoxyhepta-2,4,6-trienyl)piperidine
SMILESCOC(C=CC=CF)=CCN1CCCCC1
InChIInChI=1S/C13H20FNO/c1-16-13(7-3-4-9-14)8-12-15-10-5-2-6-11-15/h3-4,7-9H,2,5-6,10-12H2,1H3
InChIKeyIIUDGEZXWWARAA-UHFFFAOYSA-N
XLogP3.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-3-methoxyhepta-2,4,6-trienyl)piperidine?
The IUPAC name of 1-(7-fluoro-3-methoxyhepta-2,4,6-trienyl)piperidine (CID 123388373) is 1-(7-fluoro-3-methoxyhepta-2,4,6-trienyl)piperidine.
What is the SMILES notation for 1-(7-fluoro-3-methoxyhepta-2,4,6-trienyl)piperidine?
The canonical SMILES for 1-(7-fluoro-3-methoxyhepta-2,4,6-trienyl)piperidine is COC(C=CC=CF)=CCN1CCCCC1.
What is the InChIKey of 1-(7-fluoro-3-methoxyhepta-2,4,6-trienyl)piperidine?
The InChIKey is IIUDGEZXWWARAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-16-13(7-3-4-9-14)8-12-15-10-5-2-6-11-15/h3-4,7-9H,2,5-6,10-12H2,1H3.
What are the key properties of 1-(7-fluoro-3-methoxyhepta-2,4,6-trienyl)piperidine?
1-(7-fluoro-3-methoxyhepta-2,4,6-trienyl)piperidine has a molecular weight of 225.31 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-3-methoxyhepta-2,4,6-trienyl)piperidine is sourced from PubChem (CID 123388373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).