6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-(1-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridine

C18H30FNO — CID 118448147

IUPAC6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-(1-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCCC(OC)C1=CCCN(C)C1C1C=CC(F)C(C)C1
InChIInChI=1S/C18H30FNO/c1-5-7-17(21-4)15-8-6-11-20(3)18(15)14-9-10-16(19)13(2)12-14/h8-10,13-14,16-18H,5-7,11-12H2,1-4H3
InChIKeyMCXVJZVCCPFZER-UHFFFAOYSA-N
MW295.44 g/mol
LogP3.98
Rot. Bonds5

About 6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-(1-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridine

6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-(1-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 118448147) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is 6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-(1-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-(1-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID118448147
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC Name6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-(1-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCCC(OC)C1=CCCN(C)C1C1C=CC(F)C(C)C1
InChIInChI=1S/C18H30FNO/c1-5-7-17(21-4)15-8-6-11-20(3)18(15)14-9-10-16(19)13(2)12-14/h8-10,13-14,16-18H,5-7,11-12H2,1-4H3
InChIKeyMCXVJZVCCPFZER-UHFFFAOYSA-N
XLogP3.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-(1-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridine (CID 118448147) is 6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-(1-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-(1-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-(1-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridine is CCCC(OC)C1=CCCN(C)C1C1C=CC(F)C(C)C1.
What is the InChIKey of 6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-(1-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is MCXVJZVCCPFZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-5-7-17(21-4)15-8-6-11-20(3)18(15)14-9-10-16(19)13(2)12-14/h8-10,13-14,16-18H,5-7,11-12H2,1-4H3.
What are the key properties of 6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-(1-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridine?
6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-(1-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 295.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-5-(1-methoxybutyl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 118448147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).