2,3-dimethoxy-4-piperidin-4-ylpyridine

C12H18N2O2 — CID 84687723

IUPAC2,3-dimethoxy-4-piperidin-4-ylpyridine
SMILESCOc1nccc(C2CCNCC2)c1OC
InChIInChI=1S/C12H18N2O2/c1-15-11-10(5-8-14-12(11)16-2)9-3-6-13-7-4-9/h5,8-9,13H,3-4,6-7H2,1-2H3
InChIKeyZZOBXDJTTQREQK-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.57
Rot. Bonds3

About 2,3-dimethoxy-4-piperidin-4-ylpyridine

2,3-dimethoxy-4-piperidin-4-ylpyridine (PubChem CID 84687723) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2,3-dimethoxy-4-piperidin-4-ylpyridine.

Molecular Properties

Compound Name2,3-dimethoxy-4-piperidin-4-ylpyridine
PubChem CID84687723
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2,3-dimethoxy-4-piperidin-4-ylpyridine
SMILESCOc1nccc(C2CCNCC2)c1OC
InChIInChI=1S/C12H18N2O2/c1-15-11-10(5-8-14-12(11)16-2)9-3-6-13-7-4-9/h5,8-9,13H,3-4,6-7H2,1-2H3
InChIKeyZZOBXDJTTQREQK-UHFFFAOYSA-N
XLogP1.57
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-Methoxy-3-pyridinyl)-N-methyl-4-penten-2-amine, (2S,4E)-
CID 10262406
2-Phenoxy-3-(piperidin-4-yl)pyridine
CID 44133490
2-(2-Methoxyphenoxy)-3-(piperidin-4-yl)pyridine
CID 44133674
7-(5-Methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57485800
7-(6-Methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486266
3-(2-aminoethoxy)-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 22607234
7-[5-(2-Methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
CID 71455355
(1S,2S,5R)-2-(pyridin-3-yloxymethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 156013678
(3,4-Dimethoxy-benzyl)-pyridin-4-ylmethyl-amine hydrochloride
CID 24746772
3-(5-Methoxypyridin-3-yl)-9-azabicyclo[3.3.1]non-2-ene
CID 10220229
2-(2-Fluoro-6-methoxyphenoxy)-3-(piperidin-4-yl)pyridine
CID 44131466
N-ethyl-2-(5-methoxy-3-pyridinyl)-N-methylethanamine
CID 11679984

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-4-piperidin-4-ylpyridine?
The IUPAC name of 2,3-dimethoxy-4-piperidin-4-ylpyridine (CID 84687723) is 2,3-dimethoxy-4-piperidin-4-ylpyridine.
What is the SMILES notation for 2,3-dimethoxy-4-piperidin-4-ylpyridine?
The canonical SMILES for 2,3-dimethoxy-4-piperidin-4-ylpyridine is COc1nccc(C2CCNCC2)c1OC.
What is the InChIKey of 2,3-dimethoxy-4-piperidin-4-ylpyridine?
The InChIKey is ZZOBXDJTTQREQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-15-11-10(5-8-14-12(11)16-2)9-3-6-13-7-4-9/h5,8-9,13H,3-4,6-7H2,1-2H3.
What are the key properties of 2,3-dimethoxy-4-piperidin-4-ylpyridine?
2,3-dimethoxy-4-piperidin-4-ylpyridine has a molecular weight of 222.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-4-piperidin-4-ylpyridine is sourced from PubChem (CID 84687723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).