3-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine

C20H26N2O2 — CID 2854407

IUPAC3-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine
SMILESCOc1ccc(CN2CCCCC2c2cccnc2)c(OC)c1C
InChIInChI=1S/C20H26N2O2/c1-15-19(23-2)10-9-17(20(15)24-3)14-22-12-5-4-8-18(22)16-7-6-11-21-13-16/h6-7,9-11,13,18H,4-5,8,12,14H2,1-3H3
InChIKeyVJGNWMYULLZXJF-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.13
Rot. Bonds5

About 3-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine

3-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine (PubChem CID 2854407) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine
PubChem CID2854407
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine
SMILESCOc1ccc(CN2CCCCC2c2cccnc2)c(OC)c1C
InChIInChI=1S/C20H26N2O2/c1-15-19(23-2)10-9-17(20(15)24-3)14-22-12-5-4-8-18(22)16-7-6-11-21-13-16/h6-7,9-11,13,18H,4-5,8,12,14H2,1-3H3
InChIKeyVJGNWMYULLZXJF-UHFFFAOYSA-N
XLogP4.13
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3E)-3-((2,4-Dimethoxyphenyl)methylene)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 5310985
N1-(2,4-Dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl)oxalamide
CID 11739408
4-[(E)-5,6-Dihydro-2,3'-bipyridin-3(4H)-ylidenemethyl]-3-methoxyphenol
CID 135508231
3-(2-Hydroxy-4-methoxybenzylidene)anabaseine
CID 135524501
5,7-Dimethoxy-3-(4-pyridinyl)quinoline
CID 3139
(2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10499614
N-[4-(4-Methoxy-phenyl)-1-pyridin-3-ylmethyl-piperidin-4-yl]-acetamide
CID 6487780
1-[3-(4-Methyl-2-oxo-2H-chromen-7-yloxy)-propyl]-pyridinium
CID 16682426
N-[(2,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid
CID 23724238
(2,4-Dimethoxy-benzyl)-pyridin-4-ylmethyl-amine hydrochloride
CID 24746804
2-(4-Methoxyphenyl)-5-pentylpyridine
CID 2058335
2-amino-7-methoxy-4-(pyridin-3-yl)-4H-chromene-3-carbonitrile
CID 3633856

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine?
The IUPAC name of 3-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine (CID 2854407) is 3-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 3-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 3-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine is COc1ccc(CN2CCCCC2c2cccnc2)c(OC)c1C.
What is the InChIKey of 3-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine?
The InChIKey is VJGNWMYULLZXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-19(23-2)10-9-17(20(15)24-3)14-22-12-5-4-8-18(22)16-7-6-11-21-13-16/h6-7,9-11,13,18H,4-5,8,12,14H2,1-3H3.
What are the key properties of 3-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine?
3-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine has a molecular weight of 326.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 2854407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).