methyl 6-(4-fluorophenyl)-2,3-dimethyl-4-phenyl-2,3,4,5-tetrahydropyridine-5-carboxylate

C21H22FNO2 — CID 123406482

IUPACmethyl 6-(4-fluorophenyl)-2,3-dimethyl-4-phenyl-2,3,4,5-tetrahydropyridine-5-carboxylate
SMILESCOC(=O)C1C(c2ccc(F)cc2)=NC(C)C(C)C1c1ccccc1
InChIInChI=1S/C21H22FNO2/c1-13-14(2)23-20(16-9-11-17(22)12-10-16)19(21(24)25-3)18(13)15-7-5-4-6-8-15/h4-14,18-19H,1-3H3
InChIKeyNGZLLYMBBIRBRT-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.23
Rot. Bonds3

About methyl 6-(4-fluorophenyl)-2,3-dimethyl-4-phenyl-2,3,4,5-tetrahydropyridine-5-carboxylate

methyl 6-(4-fluorophenyl)-2,3-dimethyl-4-phenyl-2,3,4,5-tetrahydropyridine-5-carboxylate (PubChem CID 123406482) has the molecular formula C21H22FNO2 and a molecular weight of 339.41 g/mol. Its IUPAC name is methyl 6-(4-fluorophenyl)-2,3-dimethyl-4-phenyl-2,3,4,5-tetrahydropyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-fluorophenyl)-2,3-dimethyl-4-phenyl-2,3,4,5-tetrahydropyridine-5-carboxylate
PubChem CID123406482
Molecular FormulaC21H22FNO2
Molecular Weight339.41 g/mol
Exact Mass339.16
IUPAC Namemethyl 6-(4-fluorophenyl)-2,3-dimethyl-4-phenyl-2,3,4,5-tetrahydropyridine-5-carboxylate
SMILESCOC(=O)C1C(c2ccc(F)cc2)=NC(C)C(C)C1c1ccccc1
InChIInChI=1S/C21H22FNO2/c1-13-14(2)23-20(16-9-11-17(22)12-10-16)19(21(24)25-3)18(13)15-7-5-4-6-8-15/h4-14,18-19H,1-3H3
InChIKeyNGZLLYMBBIRBRT-UHFFFAOYSA-N
XLogP4.23
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 6-(4-fluorophenyl)-2,3-dimethyl-4-phenyl-2,3,4,5-tetrahydropyridine-5-carboxylate with MolForge

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Related Compounds

methyl (2R,3R)-5-(4-fluorophenyl)-3-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 132539190
methyl (2R,3R)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 132539188
methyl (2S,3R,4S,5R)-4,5-bis(hydroxymethyl)-5-methyl-3-phenylpyrrolidine-2-carboxylate
CID 101014176
cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid
CID 686165
methyl (1R,6S)-4,6-bis(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 139078700
ethyl 4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-2,5-dihydropyrimidine-5-carboxylate
CID 54290895
methyl 5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 73115471
dimethyl (3S,4R)-2-methyl-5-phenyl-3,4-dihydropyrazole-3,4-dicarboxylate
CID 102308433
methyl 2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxylate
CID 142718711
methyl 5-(4-fluorophenyl)-4-thia-6-azaspiro[2.4]hept-5-ene-7-carboxylate
CID 11807575
dimethyl (1S,2R)-3,6-diphenylcyclohexa-3,5-diene-1,2-dicarboxylate
CID 10665399
methyl (5R,6S)-4-oxo-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate
CID 917124

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-fluorophenyl)-2,3-dimethyl-4-phenyl-2,3,4,5-tetrahydropyridine-5-carboxylate?
The IUPAC name of methyl 6-(4-fluorophenyl)-2,3-dimethyl-4-phenyl-2,3,4,5-tetrahydropyridine-5-carboxylate (CID 123406482) is methyl 6-(4-fluorophenyl)-2,3-dimethyl-4-phenyl-2,3,4,5-tetrahydropyridine-5-carboxylate.
What is the SMILES notation for methyl 6-(4-fluorophenyl)-2,3-dimethyl-4-phenyl-2,3,4,5-tetrahydropyridine-5-carboxylate?
The canonical SMILES for methyl 6-(4-fluorophenyl)-2,3-dimethyl-4-phenyl-2,3,4,5-tetrahydropyridine-5-carboxylate is COC(=O)C1C(c2ccc(F)cc2)=NC(C)C(C)C1c1ccccc1.
What is the InChIKey of methyl 6-(4-fluorophenyl)-2,3-dimethyl-4-phenyl-2,3,4,5-tetrahydropyridine-5-carboxylate?
The InChIKey is NGZLLYMBBIRBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO2/c1-13-14(2)23-20(16-9-11-17(22)12-10-16)19(21(24)25-3)18(13)15-7-5-4-6-8-15/h4-14,18-19H,1-3H3.
What are the key properties of methyl 6-(4-fluorophenyl)-2,3-dimethyl-4-phenyl-2,3,4,5-tetrahydropyridine-5-carboxylate?
methyl 6-(4-fluorophenyl)-2,3-dimethyl-4-phenyl-2,3,4,5-tetrahydropyridine-5-carboxylate has a molecular weight of 339.41 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-fluorophenyl)-2,3-dimethyl-4-phenyl-2,3,4,5-tetrahydropyridine-5-carboxylate is sourced from PubChem (CID 123406482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).