4-[(2,6-dimethyloxan-4-yl)oxymethyl]-1,2,3,6-tetrahydropyridine

C13H23NO2 — CID 114404645

IUPAC4-[(2,6-dimethyloxan-4-yl)oxymethyl]-1,2,3,6-tetrahydropyridine
SMILESCC1CC(OCC2=CCNCC2)CC(C)O1
InChIInChI=1S/C13H23NO2/c1-10-7-13(8-11(2)16-10)15-9-12-3-5-14-6-4-12/h3,10-11,13-14H,4-9H2,1-2H3
InChIKeyBOOQJBRFJYYHIR-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.88
Rot. Bonds3

About 4-[(2,6-dimethyloxan-4-yl)oxymethyl]-1,2,3,6-tetrahydropyridine

4-[(2,6-dimethyloxan-4-yl)oxymethyl]-1,2,3,6-tetrahydropyridine (PubChem CID 114404645) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-[(2,6-dimethyloxan-4-yl)oxymethyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[(2,6-dimethyloxan-4-yl)oxymethyl]-1,2,3,6-tetrahydropyridine
PubChem CID114404645
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4-[(2,6-dimethyloxan-4-yl)oxymethyl]-1,2,3,6-tetrahydropyridine
SMILESCC1CC(OCC2=CCNCC2)CC(C)O1
InChIInChI=1S/C13H23NO2/c1-10-7-13(8-11(2)16-10)15-9-12-3-5-14-6-4-12/h3,10-11,13-14H,4-9H2,1-2H3
InChIKeyBOOQJBRFJYYHIR-UHFFFAOYSA-N
XLogP1.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(2,6-dimethyloxan-4-yl)oxymethyl]-1,2,3,6-tetrahydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716602
4-(Pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 102982177
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(oxan-2-yl)ethanamine
CID 103992783
4-(Cyclohexyloxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404451
4-[(4-Methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine
CID 114404461
4-[(2-Methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine
CID 114404462
4-(Oxan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404469
4-(Octoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404533
4-(Hexoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404535
4-(Octan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404537
4-(Heptoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404539
4-(2-Ethylhexoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404541

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethyloxan-4-yl)oxymethyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[(2,6-dimethyloxan-4-yl)oxymethyl]-1,2,3,6-tetrahydropyridine (CID 114404645) is 4-[(2,6-dimethyloxan-4-yl)oxymethyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[(2,6-dimethyloxan-4-yl)oxymethyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[(2,6-dimethyloxan-4-yl)oxymethyl]-1,2,3,6-tetrahydropyridine is CC1CC(OCC2=CCNCC2)CC(C)O1.
What is the InChIKey of 4-[(2,6-dimethyloxan-4-yl)oxymethyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is BOOQJBRFJYYHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-7-13(8-11(2)16-10)15-9-12-3-5-14-6-4-12/h3,10-11,13-14H,4-9H2,1-2H3.
What are the key properties of 4-[(2,6-dimethyloxan-4-yl)oxymethyl]-1,2,3,6-tetrahydropyridine?
4-[(2,6-dimethyloxan-4-yl)oxymethyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 225.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethyloxan-4-yl)oxymethyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 114404645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).