4-[[3-(methoxymethyl)-3-methylazetidin-1-yl]methyl]-1-methylpiperidine

C13H26N2O — CID 169319620

IUPAC4-[[3-(methoxymethyl)-3-methylazetidin-1-yl]methyl]-1-methylpiperidine
SMILESCOCC1(C)CN(CC2CCN(C)CC2)C1
InChIInChI=1S/C13H26N2O/c1-13(11-16-3)9-15(10-13)8-12-4-6-14(2)7-5-12/h12H,4-11H2,1-3H3
InChIKeyXZHKYMLBLSKPDV-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.30
Rot. Bonds4

About 4-[[3-(methoxymethyl)-3-methylazetidin-1-yl]methyl]-1-methylpiperidine

4-[[3-(methoxymethyl)-3-methylazetidin-1-yl]methyl]-1-methylpiperidine (PubChem CID 169319620) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-[[3-(methoxymethyl)-3-methylazetidin-1-yl]methyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[[3-(methoxymethyl)-3-methylazetidin-1-yl]methyl]-1-methylpiperidine
PubChem CID169319620
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-[[3-(methoxymethyl)-3-methylazetidin-1-yl]methyl]-1-methylpiperidine
SMILESCOCC1(C)CN(CC2CCN(C)CC2)C1
InChIInChI=1S/C13H26N2O/c1-13(11-16-3)9-15(10-13)8-12-4-6-14(2)7-5-12/h12H,4-11H2,1-3H3
InChIKeyXZHKYMLBLSKPDV-UHFFFAOYSA-N
XLogP1.30
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[3-(methoxymethyl)-3-methylazetidin-1-yl]methyl]-1-methylpiperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(methoxymethyl)-3-methylazetidin-1-yl]methyl]-1-methylpiperidine?
The IUPAC name of 4-[[3-(methoxymethyl)-3-methylazetidin-1-yl]methyl]-1-methylpiperidine (CID 169319620) is 4-[[3-(methoxymethyl)-3-methylazetidin-1-yl]methyl]-1-methylpiperidine.
What is the SMILES notation for 4-[[3-(methoxymethyl)-3-methylazetidin-1-yl]methyl]-1-methylpiperidine?
The canonical SMILES for 4-[[3-(methoxymethyl)-3-methylazetidin-1-yl]methyl]-1-methylpiperidine is COCC1(C)CN(CC2CCN(C)CC2)C1.
What is the InChIKey of 4-[[3-(methoxymethyl)-3-methylazetidin-1-yl]methyl]-1-methylpiperidine?
The InChIKey is XZHKYMLBLSKPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(11-16-3)9-15(10-13)8-12-4-6-14(2)7-5-12/h12H,4-11H2,1-3H3.
What are the key properties of 4-[[3-(methoxymethyl)-3-methylazetidin-1-yl]methyl]-1-methylpiperidine?
4-[[3-(methoxymethyl)-3-methylazetidin-1-yl]methyl]-1-methylpiperidine has a molecular weight of 226.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(methoxymethyl)-3-methylazetidin-1-yl]methyl]-1-methylpiperidine is sourced from PubChem (CID 169319620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).