2,5-dimethoxy-4-piperidin-4-ylpyridine

C12H18N2O2 — CID 84687688

IUPAC2,5-dimethoxy-4-piperidin-4-ylpyridine
SMILESCOc1cc(C2CCNCC2)c(OC)cn1
InChIInChI=1S/C12H18N2O2/c1-15-11-8-14-12(16-2)7-10(11)9-3-5-13-6-4-9/h7-9,13H,3-6H2,1-2H3
InChIKeyCQEBMZJTKMIUSK-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.57
Rot. Bonds3

About 2,5-dimethoxy-4-piperidin-4-ylpyridine

2,5-dimethoxy-4-piperidin-4-ylpyridine (PubChem CID 84687688) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2,5-dimethoxy-4-piperidin-4-ylpyridine.

Molecular Properties

Compound Name2,5-dimethoxy-4-piperidin-4-ylpyridine
PubChem CID84687688
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2,5-dimethoxy-4-piperidin-4-ylpyridine
SMILESCOc1cc(C2CCNCC2)c(OC)cn1
InChIInChI=1S/C12H18N2O2/c1-15-11-8-14-12(16-2)7-10(11)9-3-5-13-6-4-9/h7-9,13H,3-6H2,1-2H3
InChIKeyCQEBMZJTKMIUSK-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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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-4-piperidin-4-ylpyridine?
The IUPAC name of 2,5-dimethoxy-4-piperidin-4-ylpyridine (CID 84687688) is 2,5-dimethoxy-4-piperidin-4-ylpyridine.
What is the SMILES notation for 2,5-dimethoxy-4-piperidin-4-ylpyridine?
The canonical SMILES for 2,5-dimethoxy-4-piperidin-4-ylpyridine is COc1cc(C2CCNCC2)c(OC)cn1.
What is the InChIKey of 2,5-dimethoxy-4-piperidin-4-ylpyridine?
The InChIKey is CQEBMZJTKMIUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-15-11-8-14-12(16-2)7-10(11)9-3-5-13-6-4-9/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 2,5-dimethoxy-4-piperidin-4-ylpyridine?
2,5-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 2,5-dimethoxy-4-piperidin-4-ylpyridine is sourced from PubChem (CID 84687688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).