6-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-1,2,3,6-tetrahydropyridine

C11H19FN2O — CID 155676315

IUPAC6-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-1,2,3,6-tetrahydropyridine
SMILESCN1C[C@H](F)C[C@H]1COC1C=CCCN1
InChIInChI=1S/C11H19FN2O/c1-14-7-9(12)6-10(14)8-15-11-4-2-3-5-13-11/h2,4,9-11,13H,3,5-8H2,1H3/t9-,10+,11?/m1/s1
InChIKeyUYBCORODOBMYHY-JKIOLJMWSA-N
MW214.28 g/mol
LogP0.92
Rot. Bonds3

About 6-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-1,2,3,6-tetrahydropyridine

6-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-1,2,3,6-tetrahydropyridine (PubChem CID 155676315) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is 6-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name6-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-1,2,3,6-tetrahydropyridine
PubChem CID155676315
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Name6-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-1,2,3,6-tetrahydropyridine
SMILESCN1C[C@H](F)C[C@H]1COC1C=CCCN1
InChIInChI=1S/C11H19FN2O/c1-14-7-9(12)6-10(14)8-15-11-4-2-3-5-13-11/h2,4,9-11,13H,3,5-8H2,1H3/t9-,10+,11?/m1/s1
InChIKeyUYBCORODOBMYHY-JKIOLJMWSA-N
XLogP0.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(1-Methylpyrrolidin-2-yl)methoxy]-1,2,3,6-tetrahydropyridine
CID 141759705
(2R)-2-[[(Z)-pent-2-enoxy]methyl]pyrrolidine
CID 143435302

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 6-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-1,2,3,6-tetrahydropyridine (CID 155676315) is 6-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 6-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 6-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-1,2,3,6-tetrahydropyridine is CN1C[C@H](F)C[C@H]1COC1C=CCCN1.
What is the InChIKey of 6-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-1,2,3,6-tetrahydropyridine?
The InChIKey is UYBCORODOBMYHY-JKIOLJMWSA-N. The full InChI is InChI=1S/C11H19FN2O/c1-14-7-9(12)6-10(14)8-15-11-4-2-3-5-13-11/h2,4,9-11,13H,3,5-8H2,1H3/t9-,10+,11?/m1/s1.
What are the key properties of 6-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-1,2,3,6-tetrahydropyridine?
6-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-1,2,3,6-tetrahydropyridine has a molecular weight of 214.28 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 155676315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).