4-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine

C8H15NO — CID 84716250

IUPAC4-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine
SMILESCOCCC1=CCNCC1
InChIInChI=1S/C8H15NO/c1-10-7-4-8-2-5-9-6-3-8/h2,9H,3-7H2,1H3
InChIKeyUJSHZFZFJSHZRD-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds3

About 4-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine

4-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 84716250) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine
PubChem CID84716250
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine
SMILESCOCCC1=CCNCC1
InChIInChI=1S/C8H15NO/c1-10-7-4-8-2-5-9-6-3-8/h2,9H,3-7H2,1H3
InChIKeyUJSHZFZFJSHZRD-UHFFFAOYSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-cyclohexadiene-1-ethanamine, 5-methoxy-N-methyl-
CID 637853
4-(2-methoxyethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 21615236
2-(1,2,3,6-Tetrahydropyridin-4-yl)ethanol
CID 22928802
3-(1,2,3,6-Tetrahydropyridin-5-yl)propan-1-ol
CID 117205813
2-(1,2,3,6-Tetrahydropyridin-4-yl)ethyl methanesulfonate
CID 141886297
6-Methoxy-1,2,3,4,5,8-hexahydroisoquinoline
CID 66554168
5-(2-Methoxyethyl)-1,2,3,6-tetrahydropyridine
CID 84716251
4-(2-Ethoxyethyl)-1,2,3,6-tetrahydropyridine
CID 84716599
5-(2-Ethoxyethyl)-1,2,3,6-tetrahydropyridine
CID 84716600
4-(2-Propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine
CID 84717346
5-methoxy-N-(2-methylidenebutyl)pentan-1-amine
CID 105934572
5-methoxy-N-(3-methylbut-2-enyl)pentan-1-amine
CID 106547069

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine (CID 84716250) is 4-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine is COCCC1=CCNCC1.
What is the InChIKey of 4-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is UJSHZFZFJSHZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-10-7-4-8-2-5-9-6-3-8/h2,9H,3-7H2,1H3.
What are the key properties of 4-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine?
4-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 141.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 84716250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).