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

C14H18BrN3O — CID 107080186

IUPAC3-(bromomethyl)-2-(4-methoxypiperidin-1-yl)imidazo[1,2-a]pyridine
SMILESCOC1CCN(c2nc3ccccn3c2CBr)CC1
InChIInChI=1S/C14H18BrN3O/c1-19-11-5-8-17(9-6-11)14-12(10-15)18-7-3-2-4-13(18)16-14/h2-4,7,11H,5-6,8-10H2,1H3
InChIKeyJRCHMOUGWBZQOT-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.84
Rot. Bonds3

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

3-(bromomethyl)-2-(4-methoxypiperidin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 107080186) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(4-methoxypiperidin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-(4-methoxypiperidin-1-yl)imidazo[1,2-a]pyridine
PubChem CID107080186
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name3-(bromomethyl)-2-(4-methoxypiperidin-1-yl)imidazo[1,2-a]pyridine
SMILESCOC1CCN(c2nc3ccccn3c2CBr)CC1
InChIInChI=1S/C14H18BrN3O/c1-19-11-5-8-17(9-6-11)14-12(10-15)18-7-3-2-4-13(18)16-14/h2-4,7,11H,5-6,8-10H2,1H3
InChIKeyJRCHMOUGWBZQOT-UHFFFAOYSA-N
XLogP2.84
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.84
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

3-(bromomethyl)-2-(4-ethoxypiperidin-1-yl)imidazo[1,2-a]pyridine
CID 107080810
1-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylpiperidin-4-amine
CID 107080536
3-(bromomethyl)-2-(4-methylsulfanylpiperidin-1-yl)imidazo[1,2-a]pyridine
CID 114237430
3-(bromomethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 107081425
N-[[2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine
CID 103535879
3-(bromomethyl)-2-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridine
CID 107079661
1-[2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]butan-2-amine
CID 103540574
N-[[2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-1-amine
CID 103535779
3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 107083505
3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine
CID 107080729
3-(bromomethyl)-2-(3,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridine
CID 107083876
4-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-2-methyl-1,4-oxazepane
CID 107082957

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-(4-methoxypiperidin-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(bromomethyl)-2-(4-methoxypiperidin-1-yl)imidazo[1,2-a]pyridine (CID 107080186) is 3-(bromomethyl)-2-(4-methoxypiperidin-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(bromomethyl)-2-(4-methoxypiperidin-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(bromomethyl)-2-(4-methoxypiperidin-1-yl)imidazo[1,2-a]pyridine is COC1CCN(c2nc3ccccn3c2CBr)CC1.
What is the InChIKey of 3-(bromomethyl)-2-(4-methoxypiperidin-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is JRCHMOUGWBZQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-19-11-5-8-17(9-6-11)14-12(10-15)18-7-3-2-4-13(18)16-14/h2-4,7,11H,5-6,8-10H2,1H3.
What are the key properties of 3-(bromomethyl)-2-(4-methoxypiperidin-1-yl)imidazo[1,2-a]pyridine?
3-(bromomethyl)-2-(4-methoxypiperidin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 324.22 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-(4-methoxypiperidin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 107080186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).