4-(oxan-4-yloxymethyl)-1,2,3,6-tetrahydropyridine

C11H19NO2 — CID 114404584

IUPAC4-(oxan-4-yloxymethyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(COC2CCOCC2)CCNC1
InChIInChI=1S/C11H19NO2/c1-5-12-6-2-10(1)9-14-11-3-7-13-8-4-11/h1,11-12H,2-9H2
InChIKeyXGJZXQUDWWBOCW-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.10
Rot. Bonds3

About 4-(oxan-4-yloxymethyl)-1,2,3,6-tetrahydropyridine

4-(oxan-4-yloxymethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 114404584) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(oxan-4-yloxymethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(oxan-4-yloxymethyl)-1,2,3,6-tetrahydropyridine
PubChem CID114404584
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-(oxan-4-yloxymethyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(COC2CCOCC2)CCNC1
InChIInChI=1S/C11H19NO2/c1-5-12-6-2-10(1)9-14-11-3-7-13-8-4-11/h1,11-12H,2-9H2
InChIKeyXGJZXQUDWWBOCW-UHFFFAOYSA-N
XLogP1.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(oxan-4-yloxymethyl)-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

N-[(2Z)-2-(1-ethoxyethyl)penta-2,4-dienyl]oxan-4-amine
CID 146359586
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
(3E)-3-(oxolan-2-ylmethylidene)piperidine
CID 79880294
4-(Propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716602
4-(Pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 102982177
4-[2-(3-Methoxypropoxy)ethoxymethyl]-1,2,3,6-tetrahydropyridine
CID 103178000
4-[3-(2-Methoxyethoxy)propoxymethyl]-1,2,3,6-tetrahydropyridine
CID 103402879
4-(1-Ethoxypropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 103488712
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(oxan-2-yl)ethanamine
CID 103992783
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-propan-2-yloxybutan-1-amine
CID 104159004
4-[(3-Methoxy-3-methylbutoxy)methyl]-1,2,3,6-tetrahydropyridine
CID 106665881
4-(Cyclohexyloxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404451

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yloxymethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(oxan-4-yloxymethyl)-1,2,3,6-tetrahydropyridine (CID 114404584) is 4-(oxan-4-yloxymethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(oxan-4-yloxymethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(oxan-4-yloxymethyl)-1,2,3,6-tetrahydropyridine is C1=C(COC2CCOCC2)CCNC1.
What is the InChIKey of 4-(oxan-4-yloxymethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is XGJZXQUDWWBOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-12-6-2-10(1)9-14-11-3-7-13-8-4-11/h1,11-12H,2-9H2.
What are the key properties of 4-(oxan-4-yloxymethyl)-1,2,3,6-tetrahydropyridine?
4-(oxan-4-yloxymethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 197.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yloxymethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 114404584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).