4-(2-methoxy-3,4-dimethylphenyl)-1,2,3,6-tetrahydropyridine

C14H19NO — CID 103434255

IUPAC4-(2-methoxy-3,4-dimethylphenyl)-1,2,3,6-tetrahydropyridine
SMILESCOc1c(C2=CCNCC2)ccc(C)c1C
InChIInChI=1S/C14H19NO/c1-10-4-5-13(14(16-3)11(10)2)12-6-8-15-9-7-12/h4-6,15H,7-9H2,1-3H3
InChIKeyULCHEQVRFXEDHL-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.69
Rot. Bonds2

About 4-(2-methoxy-3,4-dimethylphenyl)-1,2,3,6-tetrahydropyridine

4-(2-methoxy-3,4-dimethylphenyl)-1,2,3,6-tetrahydropyridine (PubChem CID 103434255) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-(2-methoxy-3,4-dimethylphenyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(2-methoxy-3,4-dimethylphenyl)-1,2,3,6-tetrahydropyridine
PubChem CID103434255
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-(2-methoxy-3,4-dimethylphenyl)-1,2,3,6-tetrahydropyridine
SMILESCOc1c(C2=CCNCC2)ccc(C)c1C
InChIInChI=1S/C14H19NO/c1-10-4-5-13(14(16-3)11(10)2)12-6-8-15-9-7-12/h4-6,15H,7-9H2,1-3H3
InChIKeyULCHEQVRFXEDHL-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4-dimethoxy-3-methylphenyl)-2,3,6,7-tetrahydro-1H-azepine
CID 82295907
4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
CID 71742594
2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzenethiol
CID 143151031
4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;dihydrochloride
CID 71758030
4-(3-methylthiophen-2-yl)-1,2,3,6-tetrahydropyridine
CID 23149891
4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
CID 21289058
4-(1,2,3,6-tetrahydropyridin-4-yl)benzene-1,3-diol
CID 139724595
3-methyl-N-(propan-2-yloxymethyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline
CID 167190508
6-methoxy-N-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-2-carboxamide
CID 171776724
3-(2-methoxy-3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103434054
5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83874749
4-(2-methoxy-3,4-dimethylphenyl)-3-methylaniline
CID 103434076

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3,4-dimethylphenyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(2-methoxy-3,4-dimethylphenyl)-1,2,3,6-tetrahydropyridine (CID 103434255) is 4-(2-methoxy-3,4-dimethylphenyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(2-methoxy-3,4-dimethylphenyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(2-methoxy-3,4-dimethylphenyl)-1,2,3,6-tetrahydropyridine is COc1c(C2=CCNCC2)ccc(C)c1C.
What is the InChIKey of 4-(2-methoxy-3,4-dimethylphenyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is ULCHEQVRFXEDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-4-5-13(14(16-3)11(10)2)12-6-8-15-9-7-12/h4-6,15H,7-9H2,1-3H3.
What are the key properties of 4-(2-methoxy-3,4-dimethylphenyl)-1,2,3,6-tetrahydropyridine?
4-(2-methoxy-3,4-dimethylphenyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 217.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3,4-dimethylphenyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 103434255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).