4-[(4-methylpiperidin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)pyridine

C21H28N2O3 — CID 21338831

IUPAC4-[(4-methylpiperidin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)pyridine
SMILESCOc1cc(-c2cc(CN3CCC(C)CC3)ccn2)cc(OC)c1OC
InChIInChI=1S/C21H28N2O3/c1-15-6-9-23(10-7-15)14-16-5-8-22-18(11-16)17-12-19(24-2)21(26-4)20(13-17)25-3/h5,8,11-13,15H,6-7,9-10,14H2,1-4H3
InChIKeyUOKYXBYQCLYDLO-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.01
Rot. Bonds6

About 4-[(4-methylpiperidin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)pyridine

4-[(4-methylpiperidin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)pyridine (PubChem CID 21338831) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[(4-methylpiperidin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)pyridine.

Molecular Properties

Compound Name4-[(4-methylpiperidin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)pyridine
PubChem CID21338831
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name4-[(4-methylpiperidin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)pyridine
SMILESCOc1cc(-c2cc(CN3CCC(C)CC3)ccn2)cc(OC)c1OC
InChIInChI=1S/C21H28N2O3/c1-15-6-9-23(10-7-15)14-16-5-8-22-18(11-16)17-12-19(24-2)21(26-4)20(13-17)25-3/h5,8,11-13,15H,6-7,9-10,14H2,1-4H3
InChIKeyUOKYXBYQCLYDLO-UHFFFAOYSA-N
XLogP4.01
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyridine
CID 142906227
4-(piperidin-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyridine;tetrahydrochloride
CID 141070239
(3S)-N-methyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine
CID 12043144
(3S)-N-methyl-N,1-bis[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine;tetrahydrochloride
CID 68918610
ethane;1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-one
CID 142818332
ethane;3-methoxy-5-[4-[[4-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperazin-1-yl]methyl]-2-pyridinyl]benzene-1,2-diol
CID 142882142
N-benzyl-1-[[2-(3,5-dimethoxy-4-methylphenyl)-4-pyridinyl]methyl]-N-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 142906223
1-[(5,6,7-trimethoxynaphthalen-2-yl)methyl]-4-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperazine
CID 18546806
N-benzyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]-N-[[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 21338848
N-(4-methoxyphenyl)-1-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 18174095
1-[[2-(4-chloro-3,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-methylpiperidin-4-amine
CID 22557933
N-(4-chlorophenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 18174152

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperidin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)pyridine?
The IUPAC name of 4-[(4-methylpiperidin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)pyridine (CID 21338831) is 4-[(4-methylpiperidin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)pyridine.
What is the SMILES notation for 4-[(4-methylpiperidin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)pyridine?
The canonical SMILES for 4-[(4-methylpiperidin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)pyridine is COc1cc(-c2cc(CN3CCC(C)CC3)ccn2)cc(OC)c1OC.
What is the InChIKey of 4-[(4-methylpiperidin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)pyridine?
The InChIKey is UOKYXBYQCLYDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-15-6-9-23(10-7-15)14-16-5-8-22-18(11-16)17-12-19(24-2)21(26-4)20(13-17)25-3/h5,8,11-13,15H,6-7,9-10,14H2,1-4H3.
What are the key properties of 4-[(4-methylpiperidin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)pyridine?
4-[(4-methylpiperidin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)pyridine has a molecular weight of 356.47 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperidin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)pyridine is sourced from PubChem (CID 21338831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).