1-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylpiperidin-4-amine

C15H21BrN4 — CID 107080536

IUPAC1-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2nc3ccccn3c2CBr)CC1
InChIInChI=1S/C15H21BrN4/c1-18(2)12-6-9-19(10-7-12)15-13(11-16)20-8-4-3-5-14(20)17-15/h3-5,8,12H,6-7,9-11H2,1-2H3
InChIKeyAQOYFBFWMIVHQT-UHFFFAOYSA-N
MW337.27 g/mol
LogP2.76
Rot. Bonds3

About 1-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylpiperidin-4-amine

1-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylpiperidin-4-amine (PubChem CID 107080536) has the molecular formula C15H21BrN4 and a molecular weight of 337.27 g/mol. Its IUPAC name is 1-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylpiperidin-4-amine
PubChem CID107080536
Molecular FormulaC15H21BrN4
Molecular Weight337.27 g/mol
Exact Mass336.09
IUPAC Name1-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2nc3ccccn3c2CBr)CC1
InChIInChI=1S/C15H21BrN4/c1-18(2)12-6-9-19(10-7-12)15-13(11-16)20-8-4-3-5-14(20)17-15/h3-5,8,12H,6-7,9-11H2,1-2H3
InChIKeyAQOYFBFWMIVHQT-UHFFFAOYSA-N
XLogP2.76
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 52.76
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-methylsulfanylpiperidin-1-yl)imidazo[1,2-a]pyridine
CID 114237430
3-(bromomethyl)-2-(4-methoxypiperidin-1-yl)imidazo[1,2-a]pyridine
CID 107080186
3-(bromomethyl)-2-(4-ethoxypiperidin-1-yl)imidazo[1,2-a]pyridine
CID 107080810
3-(bromomethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 107081425
N,N-dimethyl-1-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-3-amine
CID 63164894
2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43586157
3-(bromomethyl)-2-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridine
CID 107079661
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
4-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylthiomorpholine
CID 107083855

Frequently Asked Questions

What is the IUPAC name of 1-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylpiperidin-4-amine (CID 107080536) is 1-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(c2nc3ccccn3c2CBr)CC1.
What is the InChIKey of 1-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is AQOYFBFWMIVHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4/c1-18(2)12-6-9-19(10-7-12)15-13(11-16)20-8-4-3-5-14(20)17-15/h3-5,8,12H,6-7,9-11H2,1-2H3.
What are the key properties of 1-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylpiperidin-4-amine?
1-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 337.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 107080536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).