2-[4-(1-hydroxyethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde

C15H19N3O2 — CID 106836344

IUPAC2-[4-(1-hydroxyethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC(O)C1CCN(c2nc3ccccn3c2C=O)CC1
InChIInChI=1S/C15H19N3O2/c1-11(20)12-5-8-17(9-6-12)15-13(10-19)18-7-3-2-4-14(18)16-15/h2-4,7,10-12,20H,5-6,8-9H2,1H3
InChIKeyCUTLTYYWNVSPTH-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.74
Rot. Bonds3

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

2-[4-(1-hydroxyethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 106836344) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID106836344
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[4-(1-hydroxyethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC(O)C1CCN(c2nc3ccccn3c2C=O)CC1
InChIInChI=1S/C15H19N3O2/c1-11(20)12-5-8-17(9-6-12)15-13(10-19)18-7-3-2-4-14(18)16-15/h2-4,7,10-12,20H,5-6,8-9H2,1H3
InChIKeyCUTLTYYWNVSPTH-UHFFFAOYSA-N
XLogP1.74
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-[4-(1-hydroxyethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde (CID 106836344) is 2-[4-(1-hydroxyethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-[4-(1-hydroxyethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde is CC(O)C1CCN(c2nc3ccccn3c2C=O)CC1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is CUTLTYYWNVSPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(20)12-5-8-17(9-6-12)15-13(10-19)18-7-3-2-4-14(18)16-15/h2-4,7,10-12,20H,5-6,8-9H2,1H3.
What are the key properties of 2-[4-(1-hydroxyethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde?
2-[4-(1-hydroxyethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 273.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 106836344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).