3-[2-(methoxymethyl)-5-methylimidazol-1-yl]piperidine

C11H19N3O — CID 91911381

IUPAC3-[2-(methoxymethyl)-5-methylimidazol-1-yl]piperidine
SMILESCOCc1ncc(C)n1C1CCCNC1
InChIInChI=1S/C11H19N3O/c1-9-6-13-11(8-15-2)14(9)10-4-3-5-12-7-10/h6,10,12H,3-5,7-8H2,1-2H3
InChIKeyGQPAGFFKBIWSOW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.26
Rot. Bonds3

About 3-[2-(methoxymethyl)-5-methylimidazol-1-yl]piperidine

3-[2-(methoxymethyl)-5-methylimidazol-1-yl]piperidine (PubChem CID 91911381) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)-5-methylimidazol-1-yl]piperidine.

Molecular Properties

Compound Name3-[2-(methoxymethyl)-5-methylimidazol-1-yl]piperidine
PubChem CID91911381
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[2-(methoxymethyl)-5-methylimidazol-1-yl]piperidine
SMILESCOCc1ncc(C)n1C1CCCNC1
InChIInChI=1S/C11H19N3O/c1-9-6-13-11(8-15-2)14(9)10-4-3-5-12-7-10/h6,10,12H,3-5,7-8H2,1-2H3
InChIKeyGQPAGFFKBIWSOW-UHFFFAOYSA-N
XLogP1.26
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethyl)-5-methylimidazol-1-yl]piperidine?
The IUPAC name of 3-[2-(methoxymethyl)-5-methylimidazol-1-yl]piperidine (CID 91911381) is 3-[2-(methoxymethyl)-5-methylimidazol-1-yl]piperidine.
What is the SMILES notation for 3-[2-(methoxymethyl)-5-methylimidazol-1-yl]piperidine?
The canonical SMILES for 3-[2-(methoxymethyl)-5-methylimidazol-1-yl]piperidine is COCc1ncc(C)n1C1CCCNC1.
What is the InChIKey of 3-[2-(methoxymethyl)-5-methylimidazol-1-yl]piperidine?
The InChIKey is GQPAGFFKBIWSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-6-13-11(8-15-2)14(9)10-4-3-5-12-7-10/h6,10,12H,3-5,7-8H2,1-2H3.
What are the key properties of 3-[2-(methoxymethyl)-5-methylimidazol-1-yl]piperidine?
3-[2-(methoxymethyl)-5-methylimidazol-1-yl]piperidine has a molecular weight of 209.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethyl)-5-methylimidazol-1-yl]piperidine is sourced from PubChem (CID 91911381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).