ethyl 2-methyl-6-(4-methylphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate

C16H21NO2 — CID 16637678

IUPACethyl 2-methyl-6-(4-methylphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
SMILESCCOC(=O)C1CC=C(c2ccc(C)cc2)NC1C
InChIInChI=1S/C16H21NO2/c1-4-19-16(18)14-9-10-15(17-12(14)3)13-7-5-11(2)6-8-13/h5-8,10,12,14,17H,4,9H2,1-3H3
InChIKeyFENROYQSFHBMPT-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.90
Rot. Bonds3

About ethyl 2-methyl-6-(4-methylphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate

ethyl 2-methyl-6-(4-methylphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate (PubChem CID 16637678) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is ethyl 2-methyl-6-(4-methylphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-(4-methylphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
PubChem CID16637678
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Nameethyl 2-methyl-6-(4-methylphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
SMILESCCOC(=O)C1CC=C(c2ccc(C)cc2)NC1C
InChIInChI=1S/C16H21NO2/c1-4-19-16(18)14-9-10-15(17-12(14)3)13-7-5-11(2)6-8-13/h5-8,10,12,14,17H,4,9H2,1-3H3
InChIKeyFENROYQSFHBMPT-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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cis-ethyl (1S,2S)-2-[(4-methylphenoxy)methyl]cyclopropane-1-carboxylate
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CID 19889622
diethyl 3,4-dimethylcyclohept-4-ene-1,2-dicarboxylate
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ethyl 2-hydroxybicyclo[4.3.1]dec-1(9)-ene-7-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-(4-methylphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-6-(4-methylphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate (CID 16637678) is ethyl 2-methyl-6-(4-methylphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-(4-methylphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-(4-methylphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate is CCOC(=O)C1CC=C(c2ccc(C)cc2)NC1C.
What is the InChIKey of ethyl 2-methyl-6-(4-methylphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate?
The InChIKey is FENROYQSFHBMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-19-16(18)14-9-10-15(17-12(14)3)13-7-5-11(2)6-8-13/h5-8,10,12,14,17H,4,9H2,1-3H3.
What are the key properties of ethyl 2-methyl-6-(4-methylphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate?
ethyl 2-methyl-6-(4-methylphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-(4-methylphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate is sourced from PubChem (CID 16637678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).