1-fluoro-4-methoxypiperidine

C6H12FNO — CID 154266449

IUPAC1-fluoro-4-methoxypiperidine
SMILESCOC1CCN(F)CC1
InChIInChI=1S/C6H12FNO/c1-9-6-2-4-8(7)5-3-6/h6H,2-5H2,1H3
InChIKeyPKKPDIVXMSBLEH-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.98
Rot. Bonds1

About 1-fluoro-4-methoxypiperidine

1-fluoro-4-methoxypiperidine (PubChem CID 154266449) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 1-fluoro-4-methoxypiperidine.

Molecular Properties

Compound Name1-fluoro-4-methoxypiperidine
PubChem CID154266449
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name1-fluoro-4-methoxypiperidine
SMILESCOC1CCN(F)CC1
InChIInChI=1S/C6H12FNO/c1-9-6-2-4-8(7)5-3-6/h6H,2-5H2,1H3
InChIKeyPKKPDIVXMSBLEH-UHFFFAOYSA-N
XLogP0.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methoxypiperidine?
The IUPAC name of 1-fluoro-4-methoxypiperidine (CID 154266449) is 1-fluoro-4-methoxypiperidine.
What is the SMILES notation for 1-fluoro-4-methoxypiperidine?
The canonical SMILES for 1-fluoro-4-methoxypiperidine is COC1CCN(F)CC1.
What is the InChIKey of 1-fluoro-4-methoxypiperidine?
The InChIKey is PKKPDIVXMSBLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-9-6-2-4-8(7)5-3-6/h6H,2-5H2,1H3.
What are the key properties of 1-fluoro-4-methoxypiperidine?
1-fluoro-4-methoxypiperidine has a molecular weight of 133.17 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methoxypiperidine is sourced from PubChem (CID 154266449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).