2-(1-chloroethyl)-5-methyl-3-piperidin-1-ylimidazo[4,5-b]pyridine

C14H19ClN4 — CID 83017886

IUPAC2-(1-chloroethyl)-5-methyl-3-piperidin-1-ylimidazo[4,5-b]pyridine
SMILESCc1ccc2nc(C(C)Cl)n(N3CCCCC3)c2n1
InChIInChI=1S/C14H19ClN4/c1-10-6-7-12-14(16-10)19(13(17-12)11(2)15)18-8-4-3-5-9-18/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyJBFKKCJZWLROTE-UHFFFAOYSA-N
MW278.79 g/mol
LogP3.16
Rot. Bonds2

About 2-(1-chloroethyl)-5-methyl-3-piperidin-1-ylimidazo[4,5-b]pyridine

2-(1-chloroethyl)-5-methyl-3-piperidin-1-ylimidazo[4,5-b]pyridine (PubChem CID 83017886) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-methyl-3-piperidin-1-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-methyl-3-piperidin-1-ylimidazo[4,5-b]pyridine
PubChem CID83017886
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name2-(1-chloroethyl)-5-methyl-3-piperidin-1-ylimidazo[4,5-b]pyridine
SMILESCc1ccc2nc(C(C)Cl)n(N3CCCCC3)c2n1
InChIInChI=1S/C14H19ClN4/c1-10-6-7-12-14(16-10)19(13(17-12)11(2)15)18-8-4-3-5-9-18/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyJBFKKCJZWLROTE-UHFFFAOYSA-N
XLogP3.16
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-methyl-3-piperidin-1-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-5-methyl-3-piperidin-1-ylimidazo[4,5-b]pyridine (CID 83017886) is 2-(1-chloroethyl)-5-methyl-3-piperidin-1-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-5-methyl-3-piperidin-1-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-5-methyl-3-piperidin-1-ylimidazo[4,5-b]pyridine is Cc1ccc2nc(C(C)Cl)n(N3CCCCC3)c2n1.
What is the InChIKey of 2-(1-chloroethyl)-5-methyl-3-piperidin-1-ylimidazo[4,5-b]pyridine?
The InChIKey is JBFKKCJZWLROTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-10-6-7-12-14(16-10)19(13(17-12)11(2)15)18-8-4-3-5-9-18/h6-7,11H,3-5,8-9H2,1-2H3.
What are the key properties of 2-(1-chloroethyl)-5-methyl-3-piperidin-1-ylimidazo[4,5-b]pyridine?
2-(1-chloroethyl)-5-methyl-3-piperidin-1-ylimidazo[4,5-b]pyridine has a molecular weight of 278.79 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-methyl-3-piperidin-1-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 83017886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).