2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine

C15H21N3 — CID 7039929

IUPAC2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESC[C@@H]1CCC[C@H](C)N1Cc1cn2ccccc2n1
InChIInChI=1S/C15H21N3/c1-12-6-5-7-13(2)18(12)11-14-10-17-9-4-3-8-15(17)16-14/h3-4,8-10,12-13H,5-7,11H2,1-2H3/t12-,13+
InChIKeyHRBWIKJSRGDWHM-BETUJISGSA-N
MW243.35 g/mol
LogP3.10
Rot. Bonds2

About 2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine

2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 7039929) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID7039929
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESC[C@@H]1CCC[C@H](C)N1Cc1cn2ccccc2n1
InChIInChI=1S/C15H21N3/c1-12-6-5-7-13(2)18(12)11-14-10-17-9-4-3-8-15(17)16-14/h3-4,8-10,12-13H,5-7,11H2,1-2H3/t12-,13+
InChIKeyHRBWIKJSRGDWHM-BETUJISGSA-N
XLogP3.10
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine (CID 7039929) is 2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine is C[C@@H]1CCC[C@H](C)N1Cc1cn2ccccc2n1.
What is the InChIKey of 2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is HRBWIKJSRGDWHM-BETUJISGSA-N. The full InChI is InChI=1S/C15H21N3/c1-12-6-5-7-13(2)18(12)11-14-10-17-9-4-3-8-15(17)16-14/h3-4,8-10,12-13H,5-7,11H2,1-2H3/t12-,13+.
What are the key properties of 2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine?
2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 243.35 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 7039929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).