ethyl 2-benzyl-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate

C16H21NO2 — CID 10682718

IUPACethyl 2-benzyl-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=CN(C)C(Cc2ccccc2)CC1
InChIInChI=1S/C16H21NO2/c1-3-19-16(18)14-9-10-15(17(2)12-14)11-13-7-5-4-6-8-13/h4-8,12,15H,3,9-11H2,1-2H3
InChIKeyWUTJREMDVKZZBY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.77
Rot. Bonds4

About ethyl 2-benzyl-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate

ethyl 2-benzyl-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate (PubChem CID 10682718) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is ethyl 2-benzyl-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzyl-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate
PubChem CID10682718
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Nameethyl 2-benzyl-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=CN(C)C(Cc2ccccc2)CC1
InChIInChI=1S/C16H21NO2/c1-3-19-16(18)14-9-10-15(17(2)12-14)11-13-7-5-4-6-8-13/h4-8,12,15H,3,9-11H2,1-2H3
InChIKeyWUTJREMDVKZZBY-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3561633
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CID 32746684
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ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
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ethyl 2-[[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]amino]-2-oxoacetate
CID 54056950
ethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate
CID 22198151
ethyl 1-cyclopentyl-3,4-dihydro-2H-pyridine-5-carboxylate
CID 132822328
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzyl-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl 2-benzyl-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate (CID 10682718) is ethyl 2-benzyl-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 2-benzyl-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 2-benzyl-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate is CCOC(=O)C1=CN(C)C(Cc2ccccc2)CC1.
What is the InChIKey of ethyl 2-benzyl-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is WUTJREMDVKZZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-19-16(18)14-9-10-15(17(2)12-14)11-13-7-5-4-6-8-13/h4-8,12,15H,3,9-11H2,1-2H3.
What are the key properties of ethyl 2-benzyl-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate?
ethyl 2-benzyl-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzyl-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 10682718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).