4-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine

C13H24N2O2 — CID 102657075

IUPAC4-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
SMILESCOCC1=CCN(CCOC2(C)CNC2)CC1
InChIInChI=1S/C13H24N2O2/c1-13(10-14-11-13)17-8-7-15-5-3-12(4-6-15)9-16-2/h3,14H,4-11H2,1-2H3
InChIKeyMBLCPUUSFAKQAX-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.64
Rot. Bonds6

About 4-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine

4-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine (PubChem CID 102657075) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
PubChem CID102657075
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
SMILESCOCC1=CCN(CCOC2(C)CNC2)CC1
InChIInChI=1S/C13H24N2O2/c1-13(10-14-11-13)17-8-7-15-5-3-12(4-6-15)9-16-2/h3,14H,4-11H2,1-2H3
InChIKeyMBLCPUUSFAKQAX-UHFFFAOYSA-N
XLogP0.64
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine with MolForge

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Related Compounds

1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone
CID 102656646
4-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
CID 102657074
2-methoxy-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 106115046
5-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
CID 106314942
2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine
CID 114410917
2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]ethanamine
CID 114411032
2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine
CID 114411038
N-(2-methoxyethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
CID 114411070
1-[2-(azetidin-3-ylidene)propyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine
CID 114411111

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine (CID 102657075) is 4-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine is COCC1=CCN(CCOC2(C)CNC2)CC1.
What is the InChIKey of 4-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine?
The InChIKey is MBLCPUUSFAKQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(10-14-11-13)17-8-7-15-5-3-12(4-6-15)9-16-2/h3,14H,4-11H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine?
4-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine has a molecular weight of 240.35 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 102657075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).