3-[5-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-yl]pyridine

C19H22N2O2 — CID 46907472

IUPAC3-[5-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-yl]pyridine
SMILESCOc1ccc(CC2CCCN=C2c2cccnc2)c(OC)c1
InChIInChI=1S/C19H22N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,12-13,15H,4-5,10-11H2,1-2H3
InChIKeyODLOPYOPLAYOCA-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.54
Rot. Bonds5

About 3-[5-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-yl]pyridine

3-[5-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-yl]pyridine (PubChem CID 46907472) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[5-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[5-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-yl]pyridine
PubChem CID46907472
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-[5-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-yl]pyridine
SMILESCOc1ccc(CC2CCCN=C2c2cccnc2)c(OC)c1
InChIInChI=1S/C19H22N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,12-13,15H,4-5,10-11H2,1-2H3
InChIKeyODLOPYOPLAYOCA-UHFFFAOYSA-N
XLogP3.54
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-yl]pyridine?
The IUPAC name of 3-[5-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-yl]pyridine (CID 46907472) is 3-[5-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-yl]pyridine.
What is the SMILES notation for 3-[5-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-yl]pyridine?
The canonical SMILES for 3-[5-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-yl]pyridine is COc1ccc(CC2CCCN=C2c2cccnc2)c(OC)c1.
What is the InChIKey of 3-[5-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-yl]pyridine?
The InChIKey is ODLOPYOPLAYOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,12-13,15H,4-5,10-11H2,1-2H3.
What are the key properties of 3-[5-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-yl]pyridine?
3-[5-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-yl]pyridine has a molecular weight of 310.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-yl]pyridine is sourced from PubChem (CID 46907472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).