4-[(3,5-dimethoxyphenyl)methyl]-6-phenyl-2,3,4,5-tetrahydropyridine

C20H23NO2 — CID 91451793

IUPAC4-[(3,5-dimethoxyphenyl)methyl]-6-phenyl-2,3,4,5-tetrahydropyridine
SMILESCOc1cc(CC2CCN=C(c3ccccc3)C2)cc(OC)c1
InChIInChI=1S/C20H23NO2/c1-22-18-11-16(12-19(14-18)23-2)10-15-8-9-21-20(13-15)17-6-4-3-5-7-17/h3-7,11-12,14-15H,8-10,13H2,1-2H3
InChIKeyGCHFJDJMCGWLSX-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.15
Rot. Bonds5

About 4-[(3,5-dimethoxyphenyl)methyl]-6-phenyl-2,3,4,5-tetrahydropyridine

4-[(3,5-dimethoxyphenyl)methyl]-6-phenyl-2,3,4,5-tetrahydropyridine (PubChem CID 91451793) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-[(3,5-dimethoxyphenyl)methyl]-6-phenyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name4-[(3,5-dimethoxyphenyl)methyl]-6-phenyl-2,3,4,5-tetrahydropyridine
PubChem CID91451793
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name4-[(3,5-dimethoxyphenyl)methyl]-6-phenyl-2,3,4,5-tetrahydropyridine
SMILESCOc1cc(CC2CCN=C(c3ccccc3)C2)cc(OC)c1
InChIInChI=1S/C20H23NO2/c1-22-18-11-16(12-19(14-18)23-2)10-15-8-9-21-20(13-15)17-6-4-3-5-7-17/h3-7,11-12,14-15H,8-10,13H2,1-2H3
InChIKeyGCHFJDJMCGWLSX-UHFFFAOYSA-N
XLogP4.15
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethoxyphenyl)methyl]-6-phenyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 4-[(3,5-dimethoxyphenyl)methyl]-6-phenyl-2,3,4,5-tetrahydropyridine (CID 91451793) is 4-[(3,5-dimethoxyphenyl)methyl]-6-phenyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 4-[(3,5-dimethoxyphenyl)methyl]-6-phenyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 4-[(3,5-dimethoxyphenyl)methyl]-6-phenyl-2,3,4,5-tetrahydropyridine is COc1cc(CC2CCN=C(c3ccccc3)C2)cc(OC)c1.
What is the InChIKey of 4-[(3,5-dimethoxyphenyl)methyl]-6-phenyl-2,3,4,5-tetrahydropyridine?
The InChIKey is GCHFJDJMCGWLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-22-18-11-16(12-19(14-18)23-2)10-15-8-9-21-20(13-15)17-6-4-3-5-7-17/h3-7,11-12,14-15H,8-10,13H2,1-2H3.
What are the key properties of 4-[(3,5-dimethoxyphenyl)methyl]-6-phenyl-2,3,4,5-tetrahydropyridine?
4-[(3,5-dimethoxyphenyl)methyl]-6-phenyl-2,3,4,5-tetrahydropyridine has a molecular weight of 309.41 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethoxyphenyl)methyl]-6-phenyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 91451793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).