5-(methoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol

C7H13NO2 — CID 165452380

IUPAC5-(methoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol
SMILESCOCC1=CC(O)CNC1
InChIInChI=1S/C7H13NO2/c1-10-5-6-2-7(9)4-8-3-6/h2,7-9H,3-5H2,1H3
InChIKeyYTENVASYMYAUSN-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.48
Rot. Bonds2

About 5-(methoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol

5-(methoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol (PubChem CID 165452380) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 5-(methoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol.

Molecular Properties

Compound Name5-(methoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol
PubChem CID165452380
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name5-(methoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol
SMILESCOCC1=CC(O)CNC1
InChIInChI=1S/C7H13NO2/c1-10-5-6-2-7(9)4-8-3-6/h2,7-9H,3-5H2,1H3
InChIKeyYTENVASYMYAUSN-UHFFFAOYSA-N
XLogP-0.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol?
The IUPAC name of 5-(methoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol (CID 165452380) is 5-(methoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol.
What is the SMILES notation for 5-(methoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol?
The canonical SMILES for 5-(methoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol is COCC1=CC(O)CNC1.
What is the InChIKey of 5-(methoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol?
The InChIKey is YTENVASYMYAUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-10-5-6-2-7(9)4-8-3-6/h2,7-9H,3-5H2,1H3.
What are the key properties of 5-(methoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol?
5-(methoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol has a molecular weight of 143.19 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol is sourced from PubChem (CID 165452380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).