3-(bromomethyl)-2-(4-ethoxypiperidin-1-yl)imidazo[1,2-a]pyridine

C15H20BrN3O — CID 107080810

IUPAC3-(bromomethyl)-2-(4-ethoxypiperidin-1-yl)imidazo[1,2-a]pyridine
SMILESCCOC1CCN(c2nc3ccccn3c2CBr)CC1
InChIInChI=1S/C15H20BrN3O/c1-2-20-12-6-9-18(10-7-12)15-13(11-16)19-8-4-3-5-14(19)17-15/h3-5,8,12H,2,6-7,9-11H2,1H3
InChIKeyKTAZRLFSZWFHPP-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.23
Rot. Bonds4

About 3-(bromomethyl)-2-(4-ethoxypiperidin-1-yl)imidazo[1,2-a]pyridine

3-(bromomethyl)-2-(4-ethoxypiperidin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 107080810) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(4-ethoxypiperidin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-(4-ethoxypiperidin-1-yl)imidazo[1,2-a]pyridine
PubChem CID107080810
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name3-(bromomethyl)-2-(4-ethoxypiperidin-1-yl)imidazo[1,2-a]pyridine
SMILESCCOC1CCN(c2nc3ccccn3c2CBr)CC1
InChIInChI=1S/C15H20BrN3O/c1-2-20-12-6-9-18(10-7-12)15-13(11-16)19-8-4-3-5-14(19)17-15/h3-5,8,12H,2,6-7,9-11H2,1H3
InChIKeyKTAZRLFSZWFHPP-UHFFFAOYSA-N
XLogP3.23
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Piperazine carbamate/urea derivative 4
CID 89487751
6-Bromo-3-methylimidazo(1,2-a)pyridine
CID 23537418
2-[(4-Phenylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 1090326
6-Methyl-3-(morpholinomethyl)-2-phenylimidazo[1,2-a]pyridine
CID 3594650
2-Methylimidazo[1,2-a]pyridin-3-amine
CID 15533833
2-Methylimidazo[1,2-a]pyridine
CID 136742
3-Di(piperidin-1-yl)phosphoryl-2-methylimidazo[1,2-a]pyridine
CID 2999435
(2-Methylimidazo[1,2-a]pyridin-3-yl)-dipiperidino-thioxo-phosphorane
CID 4435931
1-(3-Bromo-imidazo[1,2-a]pyridin-2-ylmethyl)-pyridinium
CID 16682279
4-imidazo[1,2-a]pyridin-3-yl-N,N-dimethylpyrimidin-2-amine
CID 164627202
Ethoxy[({imidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]methanethione
CID 1507414
4-[5-(2,5-Dimethylpyrrol-1-yl)pyridin-2-yl]morpholine
CID 2941060

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-(4-ethoxypiperidin-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(bromomethyl)-2-(4-ethoxypiperidin-1-yl)imidazo[1,2-a]pyridine (CID 107080810) is 3-(bromomethyl)-2-(4-ethoxypiperidin-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(bromomethyl)-2-(4-ethoxypiperidin-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(bromomethyl)-2-(4-ethoxypiperidin-1-yl)imidazo[1,2-a]pyridine is CCOC1CCN(c2nc3ccccn3c2CBr)CC1.
What is the InChIKey of 3-(bromomethyl)-2-(4-ethoxypiperidin-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is KTAZRLFSZWFHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-2-20-12-6-9-18(10-7-12)15-13(11-16)19-8-4-3-5-14(19)17-15/h3-5,8,12H,2,6-7,9-11H2,1H3.
What are the key properties of 3-(bromomethyl)-2-(4-ethoxypiperidin-1-yl)imidazo[1,2-a]pyridine?
3-(bromomethyl)-2-(4-ethoxypiperidin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 338.25 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-(4-ethoxypiperidin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 107080810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).