4,6-dimethoxy-2,3,4,5-tetrahydropyridin-5-ol

C7H13NO3 — CID 54046127

IUPAC4,6-dimethoxy-2,3,4,5-tetrahydropyridin-5-ol
SMILESCOC1=NCCC(OC)C1O
InChIInChI=1S/C7H13NO3/c1-10-5-3-4-8-7(11-2)6(5)9/h5-6,9H,3-4H2,1-2H3
InChIKeyLPSDYPHZXJRQAA-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.19
Rot. Bonds1

About 4,6-dimethoxy-2,3,4,5-tetrahydropyridin-5-ol

4,6-dimethoxy-2,3,4,5-tetrahydropyridin-5-ol (PubChem CID 54046127) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 4,6-dimethoxy-2,3,4,5-tetrahydropyridin-5-ol.

Molecular Properties

Compound Name4,6-dimethoxy-2,3,4,5-tetrahydropyridin-5-ol
PubChem CID54046127
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name4,6-dimethoxy-2,3,4,5-tetrahydropyridin-5-ol
SMILESCOC1=NCCC(OC)C1O
InChIInChI=1S/C7H13NO3/c1-10-5-3-4-8-7(11-2)6(5)9/h5-6,9H,3-4H2,1-2H3
InChIKeyLPSDYPHZXJRQAA-UHFFFAOYSA-N
XLogP-0.19
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2,3,4,5-tetrahydropyridin-5-ol?
The IUPAC name of 4,6-dimethoxy-2,3,4,5-tetrahydropyridin-5-ol (CID 54046127) is 4,6-dimethoxy-2,3,4,5-tetrahydropyridin-5-ol.
What is the SMILES notation for 4,6-dimethoxy-2,3,4,5-tetrahydropyridin-5-ol?
The canonical SMILES for 4,6-dimethoxy-2,3,4,5-tetrahydropyridin-5-ol is COC1=NCCC(OC)C1O.
What is the InChIKey of 4,6-dimethoxy-2,3,4,5-tetrahydropyridin-5-ol?
The InChIKey is LPSDYPHZXJRQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-10-5-3-4-8-7(11-2)6(5)9/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 4,6-dimethoxy-2,3,4,5-tetrahydropyridin-5-ol?
4,6-dimethoxy-2,3,4,5-tetrahydropyridin-5-ol has a molecular weight of 159.18 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2,3,4,5-tetrahydropyridin-5-ol is sourced from PubChem (CID 54046127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).