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

C14H19NO — CID 11816800

IUPAC1-benzyl-4-methoxy-5-methyl-3,4-dihydro-2H-pyridine
SMILESCOC1CCN(Cc2ccccc2)C=C1C
InChIInChI=1S/C14H19NO/c1-12-10-15(9-8-14(12)16-2)11-13-6-4-3-5-7-13/h3-7,10,14H,8-9,11H2,1-2H3
InChIKeyLEDWRDNLTRHJCE-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.81
Rot. Bonds3

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

1-benzyl-4-methoxy-5-methyl-3,4-dihydro-2H-pyridine (PubChem CID 11816800) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-benzyl-4-methoxy-5-methyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-4-methoxy-5-methyl-3,4-dihydro-2H-pyridine
PubChem CID11816800
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-benzyl-4-methoxy-5-methyl-3,4-dihydro-2H-pyridine
SMILESCOC1CCN(Cc2ccccc2)C=C1C
InChIInChI=1S/C14H19NO/c1-12-10-15(9-8-14(12)16-2)11-13-6-4-3-5-7-13/h3-7,10,14H,8-9,11H2,1-2H3
InChIKeyLEDWRDNLTRHJCE-UHFFFAOYSA-N
XLogP2.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methoxy-5-methyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 1-benzyl-4-methoxy-5-methyl-3,4-dihydro-2H-pyridine (CID 11816800) is 1-benzyl-4-methoxy-5-methyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1-benzyl-4-methoxy-5-methyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1-benzyl-4-methoxy-5-methyl-3,4-dihydro-2H-pyridine is COC1CCN(Cc2ccccc2)C=C1C.
What is the InChIKey of 1-benzyl-4-methoxy-5-methyl-3,4-dihydro-2H-pyridine?
The InChIKey is LEDWRDNLTRHJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-12-10-15(9-8-14(12)16-2)11-13-6-4-3-5-7-13/h3-7,10,14H,8-9,11H2,1-2H3.
What are the key properties of 1-benzyl-4-methoxy-5-methyl-3,4-dihydro-2H-pyridine?
1-benzyl-4-methoxy-5-methyl-3,4-dihydro-2H-pyridine has a molecular weight of 217.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methoxy-5-methyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 11816800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).