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

C8H15NO2 — CID 165452454

IUPAC5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol
SMILESCCOCC1=CC(O)CNC1
InChIInChI=1S/C8H15NO2/c1-2-11-6-7-3-8(10)5-9-4-7/h3,8-10H,2,4-6H2,1H3
InChIKeyIEGZZKZHVJZQHC-UHFFFAOYSA-N
MW157.21 g/mol
LogP-0.09
Rot. Bonds3

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

5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol (PubChem CID 165452454) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol.

Molecular Properties

Compound Name5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol
PubChem CID165452454
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol
SMILESCCOCC1=CC(O)CNC1
InChIInChI=1S/C8H15NO2/c1-2-11-6-7-3-8(10)5-9-4-7/h3,8-10H,2,4-6H2,1H3
InChIKeyIEGZZKZHVJZQHC-UHFFFAOYSA-N
XLogP-0.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.09
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-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol?
The IUPAC name of 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol (CID 165452454) is 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol.
What is the SMILES notation for 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol?
The canonical SMILES for 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol is CCOCC1=CC(O)CNC1.
What is the InChIKey of 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol?
The InChIKey is IEGZZKZHVJZQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-11-6-7-3-8(10)5-9-4-7/h3,8-10H,2,4-6H2,1H3.
What are the key properties of 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol?
5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol has a molecular weight of 157.21 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridin-3-ol is sourced from PubChem (CID 165452454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).