3-(chloromethyl)-2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine

C15H20ClN3 — CID 43584737

IUPAC3-(chloromethyl)-2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine
SMILESCCC1CCCN(c2nc3ccccn3c2CCl)C1
InChIInChI=1S/C15H20ClN3/c1-2-12-6-5-8-18(11-12)15-13(10-16)19-9-4-3-7-14(19)17-15/h3-4,7,9,12H,2,5-6,8,10-11H2,1H3
InChIKeyXLSIEUZNPCQALX-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.70
Rot. Bonds3

About 3-(chloromethyl)-2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine

3-(chloromethyl)-2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 43584737) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine
PubChem CID43584737
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name3-(chloromethyl)-2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine
SMILESCCC1CCCN(c2nc3ccccn3c2CCl)C1
InChIInChI=1S/C15H20ClN3/c1-2-12-6-5-8-18(11-12)15-13(10-16)19-9-4-3-7-14(19)17-15/h3-4,7,9,12H,2,5-6,8,10-11H2,1H3
InChIKeyXLSIEUZNPCQALX-UHFFFAOYSA-N
XLogP3.70
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43584666
3-(chloromethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 55217934
3-(chloromethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine
CID 54882666
1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-ol
CID 61434792
3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 107083505
1-[2-(3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]butan-2-amine
CID 63786248
2-[3-(methoxymethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 106587506
4-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-2-methyl-1,4-oxazepane
CID 107082957
3-(bromomethyl)-2-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridine
CID 107079661
3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine
CID 107080729
2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline
CID 62478018
3-(bromomethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 107081425

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(chloromethyl)-2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine (CID 43584737) is 3-(chloromethyl)-2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(chloromethyl)-2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine is CCC1CCCN(c2nc3ccccn3c2CCl)C1.
What is the InChIKey of 3-(chloromethyl)-2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is XLSIEUZNPCQALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-2-12-6-5-8-18(11-12)15-13(10-16)19-9-4-3-7-14(19)17-15/h3-4,7,9,12H,2,5-6,8,10-11H2,1H3.
What are the key properties of 3-(chloromethyl)-2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine?
3-(chloromethyl)-2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 277.80 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 43584737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).