2-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride

C12H17ClN4O — CID 71636966

IUPAC2-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride
SMILESCl.c1cnc2nc(OCC3CCNCC3)[nH]c2c1
InChIInChI=1S/C12H16N4O.ClH/c1-2-10-11(14-5-1)16-12(15-10)17-8-9-3-6-13-7-4-9;/h1-2,5,9,13H,3-4,6-8H2,(H,14,15,16);1H
InChIKeyLZNHCMIQZLWKTR-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.76
Rot. Bonds3

About 2-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride

2-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride (PubChem CID 71636966) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride.

Molecular Properties

Compound Name2-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride
PubChem CID71636966
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name2-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride
SMILESCl.c1cnc2nc(OCC3CCNCC3)[nH]c2c1
InChIInChI=1S/C12H16N4O.ClH/c1-2-10-11(14-5-1)16-12(15-10)17-8-9-3-6-13-7-4-9;/h1-2,5,9,13H,3-4,6-8H2,(H,14,15,16);1H
InChIKeyLZNHCMIQZLWKTR-UHFFFAOYSA-N
XLogP1.76
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride?
The IUPAC name of 2-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride (CID 71636966) is 2-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride.
What is the SMILES notation for 2-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride?
The canonical SMILES for 2-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride is Cl.c1cnc2nc(OCC3CCNCC3)[nH]c2c1.
What is the InChIKey of 2-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride?
The InChIKey is LZNHCMIQZLWKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O.ClH/c1-2-10-11(14-5-1)16-12(15-10)17-8-9-3-6-13-7-4-9;/h1-2,5,9,13H,3-4,6-8H2,(H,14,15,16);1H.
What are the key properties of 2-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride?
2-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride has a molecular weight of 268.75 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride is sourced from PubChem (CID 71636966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).