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

C14H22FN — CID 139453704

IUPAC6-(4-fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1=CCCNC1C1C=CC(F)CC(C)C1
InChIInChI=1S/C14H22FN/c1-10-8-12(5-6-13(15)9-10)14-11(2)4-3-7-16-14/h4-6,10,12-14,16H,3,7-9H2,1-2H3
InChIKeyCBTPAUNOEMGJMD-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.23
Rot. Bonds1

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

6-(4-fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 139453704) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is 6-(4-fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name6-(4-fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
PubChem CID139453704
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name6-(4-fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1=CCCNC1C1C=CC(F)CC(C)C1
InChIInChI=1S/C14H22FN/c1-10-8-12(5-6-13(15)9-10)14-11(2)4-3-7-16-14/h4-6,10,12-14,16H,3,7-9H2,1-2H3
InChIKeyCBTPAUNOEMGJMD-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.23
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-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 6-(4-fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine (CID 139453704) is 6-(4-fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 6-(4-fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 6-(4-fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine is CC1=CCCNC1C1C=CC(F)CC(C)C1.
What is the InChIKey of 6-(4-fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is CBTPAUNOEMGJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-10-8-12(5-6-13(15)9-10)14-11(2)4-3-7-16-14/h4-6,10,12-14,16H,3,7-9H2,1-2H3.
What are the key properties of 6-(4-fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine?
6-(4-fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine has a molecular weight of 223.33 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 139453704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).