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

C18H20N2O — CID 44516998

IUPAC3-[(4-methoxyphenyl)methyl]-5-(2,3,4,5-tetrahydropyridin-6-yl)pyridine
SMILESCOc1ccc(Cc2cncc(C3=NCCCC3)c2)cc1
InChIInChI=1S/C18H20N2O/c1-21-17-7-5-14(6-8-17)10-15-11-16(13-19-12-15)18-4-2-3-9-20-18/h5-8,11-13H,2-4,9-10H2,1H3
InChIKeyATMLERXRNGMLJI-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.65
Rot. Bonds4

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

3-[(4-methoxyphenyl)methyl]-5-(2,3,4,5-tetrahydropyridin-6-yl)pyridine (PubChem CID 44516998) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-5-(2,3,4,5-tetrahydropyridin-6-yl)pyridine.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-5-(2,3,4,5-tetrahydropyridin-6-yl)pyridine
PubChem CID44516998
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-[(4-methoxyphenyl)methyl]-5-(2,3,4,5-tetrahydropyridin-6-yl)pyridine
SMILESCOc1ccc(Cc2cncc(C3=NCCCC3)c2)cc1
InChIInChI=1S/C18H20N2O/c1-21-17-7-5-14(6-8-17)10-15-11-16(13-19-12-15)18-4-2-3-9-20-18/h5-8,11-13H,2-4,9-10H2,1H3
InChIKeyATMLERXRNGMLJI-UHFFFAOYSA-N
XLogP3.65
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-dimethoxyphenyl)methyl]-5-(2,3,4,5-tetrahydropyridin-6-yl)pyridine
CID 44516996
6-(4-ethylphenyl)-2,3,4,5-tetrahydropyridine
CID 151560856
N-[2-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide
CID 18428438
2-[[3-chloro-2-[3-[(4-methoxyphenyl)methyl]phenyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidine
CID 68649649
3-methoxy-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridine
CID 169114026
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 81370327
1-(cyclobuten-1-ylmethyl)-4-methoxybenzene
CID 101057270
3-methyl-5-(2,3,4,5-tetrahydropyridin-6-yl)pyridin-2-amine
CID 102542767
N-[[5-(4-methoxyphenyl)-3-pyridinyl]methyl]-N-methyl-3,4-dihydro-1H-isochromen-1-amine
CID 70077368
5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 113469448
5-(4-methoxyphenyl)-3-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole
CID 24916094
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-5-(2,3,4,5-tetrahydropyridin-6-yl)pyridine?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-5-(2,3,4,5-tetrahydropyridin-6-yl)pyridine (CID 44516998) is 3-[(4-methoxyphenyl)methyl]-5-(2,3,4,5-tetrahydropyridin-6-yl)pyridine.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-5-(2,3,4,5-tetrahydropyridin-6-yl)pyridine?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-5-(2,3,4,5-tetrahydropyridin-6-yl)pyridine is COc1ccc(Cc2cncc(C3=NCCCC3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-5-(2,3,4,5-tetrahydropyridin-6-yl)pyridine?
The InChIKey is ATMLERXRNGMLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-21-17-7-5-14(6-8-17)10-15-11-16(13-19-12-15)18-4-2-3-9-20-18/h5-8,11-13H,2-4,9-10H2,1H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-5-(2,3,4,5-tetrahydropyridin-6-yl)pyridine?
3-[(4-methoxyphenyl)methyl]-5-(2,3,4,5-tetrahydropyridin-6-yl)pyridine has a molecular weight of 280.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-5-(2,3,4,5-tetrahydropyridin-6-yl)pyridine is sourced from PubChem (CID 44516998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).