4-(methoxymethyl)-1-(oxiran-2-ylmethyl)piperidine

C10H19NO2 — CID 63972885

IUPAC4-(methoxymethyl)-1-(oxiran-2-ylmethyl)piperidine
SMILESCOCC1CCN(CC2CO2)CC1
InChIInChI=1S/C10H19NO2/c1-12-7-9-2-4-11(5-3-9)6-10-8-13-10/h9-10H,2-8H2,1H3
InChIKeyJHNPDQMIZBAMNY-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.74
Rot. Bonds4

About 4-(methoxymethyl)-1-(oxiran-2-ylmethyl)piperidine

4-(methoxymethyl)-1-(oxiran-2-ylmethyl)piperidine (PubChem CID 63972885) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-(oxiran-2-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(methoxymethyl)-1-(oxiran-2-ylmethyl)piperidine
PubChem CID63972885
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-(methoxymethyl)-1-(oxiran-2-ylmethyl)piperidine
SMILESCOCC1CCN(CC2CO2)CC1
InChIInChI=1S/C10H19NO2/c1-12-7-9-2-4-11(5-3-9)6-10-8-13-10/h9-10H,2-8H2,1H3
InChIKeyJHNPDQMIZBAMNY-UHFFFAOYSA-N
XLogP0.74
TPSA25.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-(methoxymethyl)-1-(oxiran-2-ylmethyl)pyrrolidine
CID 64569723
4-(methoxymethyl)-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 121451427
4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine
CID 40505250
ethane;4-(methoxymethyl)-1-(piperidin-4-ylmethyl)piperidine
CID 144757867
4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine
CID 63971924
1-(oxiran-2-ylmethyl)pyrrolidine
CID 13313617
1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine
CID 40505235
2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane
CID 167078198
1-(cyclohexylmethyl)-4-(oxiran-2-ylmethyl)piperazine
CID 86661984
potassium trifluoro-[[4-(methoxymethyl)piperidin-1-yl]methyl]boranuide
CID 63979917
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-3-methylpiperidine
CID 107069292
1-cyclopropyl-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63971523

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-(oxiran-2-ylmethyl)piperidine?
The IUPAC name of 4-(methoxymethyl)-1-(oxiran-2-ylmethyl)piperidine (CID 63972885) is 4-(methoxymethyl)-1-(oxiran-2-ylmethyl)piperidine.
What is the SMILES notation for 4-(methoxymethyl)-1-(oxiran-2-ylmethyl)piperidine?
The canonical SMILES for 4-(methoxymethyl)-1-(oxiran-2-ylmethyl)piperidine is COCC1CCN(CC2CO2)CC1.
What is the InChIKey of 4-(methoxymethyl)-1-(oxiran-2-ylmethyl)piperidine?
The InChIKey is JHNPDQMIZBAMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-12-7-9-2-4-11(5-3-9)6-10-8-13-10/h9-10H,2-8H2,1H3.
What are the key properties of 4-(methoxymethyl)-1-(oxiran-2-ylmethyl)piperidine?
4-(methoxymethyl)-1-(oxiran-2-ylmethyl)piperidine has a molecular weight of 185.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-(oxiran-2-ylmethyl)piperidine is sourced from PubChem (CID 63972885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).