6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine

C13H20FN — CID 118448092

IUPAC6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1=CCCNC1C1C=CC(F)C(C)C1
InChIInChI=1S/C13H20FN/c1-9-4-3-7-15-13(9)11-5-6-12(14)10(2)8-11/h4-6,10-13,15H,3,7-8H2,1-2H3
InChIKeyNKTSNGBTQJKOCB-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.84
Rot. Bonds1

About 6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine

6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 118448092) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
PubChem CID118448092
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1=CCCNC1C1C=CC(F)C(C)C1
InChIInChI=1S/C13H20FN/c1-9-4-3-7-15-13(9)11-5-6-12(14)10(2)8-11/h4-6,10-13,15H,3,7-8H2,1-2H3
InChIKeyNKTSNGBTQJKOCB-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine (CID 118448092) is 6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine is CC1=CCCNC1C1C=CC(F)C(C)C1.
What is the InChIKey of 6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is NKTSNGBTQJKOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-9-4-3-7-15-13(9)11-5-6-12(14)10(2)8-11/h4-6,10-13,15H,3,7-8H2,1-2H3.
What are the key properties of 6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine?
6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine has a molecular weight of 209.31 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 118448092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).