2,6-dimethoxy-1,2,3,6-tetrahydropyridine

C7H13NO2 — CID 160599293

IUPAC2,6-dimethoxy-1,2,3,6-tetrahydropyridine
SMILESCOC1C=CCC(OC)N1
InChIInChI=1S/C7H13NO2/c1-9-6-4-3-5-7(8-6)10-2/h3-4,6-8H,5H2,1-2H3
InChIKeyREBDIBNYJKXMCX-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.48
Rot. Bonds2

About 2,6-dimethoxy-1,2,3,6-tetrahydropyridine

2,6-dimethoxy-1,2,3,6-tetrahydropyridine (PubChem CID 160599293) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2,6-dimethoxy-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2,6-dimethoxy-1,2,3,6-tetrahydropyridine
PubChem CID160599293
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2,6-dimethoxy-1,2,3,6-tetrahydropyridine
SMILESCOC1C=CCC(OC)N1
InChIInChI=1S/C7H13NO2/c1-9-6-4-3-5-7(8-6)10-2/h3-4,6-8H,5H2,1-2H3
InChIKeyREBDIBNYJKXMCX-UHFFFAOYSA-N
XLogP0.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-2,5-dihydro-1H-pyridin-6-one
CID 21051756
N-ethyl-1-methoxycyclohexa-2,4-dien-1-amine
CID 67926725
3-Methoxy-1,2,3,6-tetrahydropyridine
CID 68102964
6-Methoxy-1,2,3,6-tetrahydropyridine
CID 70426649
6-Methoxy-3-methyl-1,2,3,6-tetrahydropyridine
CID 89642580
N-methyl-3,6-dihydro-2H-pyran-2-amine
CID 121271675
6-Methoxy-1,2,3,6-tetrahydropyridin-3-amine
CID 123663821
2-Methoxy-1,2,3,6-tetrahydropyridine
CID 141056370
N-ethyl-3,6-dihydro-2H-pyran-2-amine
CID 143576066
6-methoxy-3,3-dimethyl-2,6-dihydro-1H-pyridine
CID 143591895
(E)-5-methoxy-N-methylpent-3-en-1-amine
CID 143749097
N-methyl-3,6-dihydro-2H-pyran-6-amine
CID 164081815

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2,6-dimethoxy-1,2,3,6-tetrahydropyridine (CID 160599293) is 2,6-dimethoxy-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2,6-dimethoxy-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2,6-dimethoxy-1,2,3,6-tetrahydropyridine is COC1C=CCC(OC)N1.
What is the InChIKey of 2,6-dimethoxy-1,2,3,6-tetrahydropyridine?
The InChIKey is REBDIBNYJKXMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-9-6-4-3-5-7(8-6)10-2/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 2,6-dimethoxy-1,2,3,6-tetrahydropyridine?
2,6-dimethoxy-1,2,3,6-tetrahydropyridine has a molecular weight of 143.19 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 160599293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).