6-methoxy-1,2,3,4-tetrahydropyridine

C6H11NO — CID 55286086

IUPAC6-methoxy-1,2,3,4-tetrahydropyridine
SMILESCOC1=CCCCN1
InChIInChI=1S/C6H11NO/c1-8-6-4-2-3-5-7-6/h4,7H,2-3,5H2,1H3
InChIKeyIMKHRRKTDVPUDH-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.86
Rot. Bonds1

About 6-methoxy-1,2,3,4-tetrahydropyridine

6-methoxy-1,2,3,4-tetrahydropyridine (PubChem CID 55286086) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 6-methoxy-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name6-methoxy-1,2,3,4-tetrahydropyridine
PubChem CID55286086
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name6-methoxy-1,2,3,4-tetrahydropyridine
SMILESCOC1=CCCCN1
InChIInChI=1S/C6H11NO/c1-8-6-4-2-3-5-7-6/h4,7H,2-3,5H2,1H3
InChIKeyIMKHRRKTDVPUDH-UHFFFAOYSA-N
XLogP0.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxypyrroline
CID 12761828
6-Hydroxytetrahydropyridine
CID 21364240
6-Fluoro-2-methoxy-1,2,3,4-tetrahydropyridine
CID 165085450
7-methoxy-2,3,4,5-tetrahydro-1H-azepine
CID 13638062
2-Ethoxypyrroline
CID 15426392
N-methyl-3,4-dihydro-2H-pyran-2-amine
CID 53420680
lithium 1-tritio-3,4-dihydro-2H-pyridin-6-olate
CID 59100163
6-methoxy-4,4-dimethyl-2,3-dihydro-1H-pyridine
CID 67260683
(E)-1-methoxy-N-propylprop-1-en-1-amine
CID 126729823
(Z)-N-ethyl-1-methoxy-N',N'-dimethylpent-1-ene-1,5-diamine
CID 132003773
6-(Iodomethoxy)-1,2,3,4-tetrahydropyridine
CID 138500253
5-methoxy-3-methyl-2,3-dihydro-1H-pyrrole
CID 140395941

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,2,3,4-tetrahydropyridine?
The IUPAC name of 6-methoxy-1,2,3,4-tetrahydropyridine (CID 55286086) is 6-methoxy-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 6-methoxy-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 6-methoxy-1,2,3,4-tetrahydropyridine is COC1=CCCCN1.
What is the InChIKey of 6-methoxy-1,2,3,4-tetrahydropyridine?
The InChIKey is IMKHRRKTDVPUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-8-6-4-2-3-5-7-6/h4,7H,2-3,5H2,1H3.
What are the key properties of 6-methoxy-1,2,3,4-tetrahydropyridine?
6-methoxy-1,2,3,4-tetrahydropyridine has a molecular weight of 113.16 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 55286086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).