2-(4-tert-butylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

C17H23N3O — CID 62090737

IUPAC2-(4-tert-butylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC(C)(C)C1CCN(c2nc3ccccn3c2C=O)CC1
InChIInChI=1S/C17H23N3O/c1-17(2,3)13-7-10-19(11-8-13)16-14(12-21)20-9-5-4-6-15(20)18-16/h4-6,9,12-13H,7-8,10-11H2,1-3H3
InChIKeyFAMXUYVMXFUHAF-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.41
Rot. Bonds2

About 2-(4-tert-butylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

2-(4-tert-butylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 62090737) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID62090737
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(4-tert-butylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC(C)(C)C1CCN(c2nc3ccccn3c2C=O)CC1
InChIInChI=1S/C17H23N3O/c1-17(2,3)13-7-10-19(11-8-13)16-14(12-21)20-9-5-4-6-15(20)18-16/h4-6,9,12-13H,7-8,10-11H2,1-3H3
InChIKeyFAMXUYVMXFUHAF-UHFFFAOYSA-N
XLogP3.41
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43586157
2-[4-(1-hydroxyethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 106836344
2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 103534998
2-[3-(methoxymethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 106587506
2-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477784
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 102933312
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 102884295
2-propan-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 76849577
2-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477803
2-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 61346910
2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 44820379
2-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 6991926

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde (CID 62090737) is 2-(4-tert-butylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde is CC(C)(C)C1CCN(c2nc3ccccn3c2C=O)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is FAMXUYVMXFUHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-17(2,3)13-7-10-19(11-8-13)16-14(12-21)20-9-5-4-6-15(20)18-16/h4-6,9,12-13H,7-8,10-11H2,1-3H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
2-(4-tert-butylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 285.39 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 62090737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).