2-(piperidin-3-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride

C12H17ClN4O — CID 71636962

IUPAC2-(piperidin-3-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride
SMILESCl.c1cnc2nc(OCC3CCCNC3)[nH]c2c1
InChIInChI=1S/C12H16N4O.ClH/c1-3-9(7-13-5-1)8-17-12-15-10-4-2-6-14-11(10)16-12;/h2,4,6,9,13H,1,3,5,7-8H2,(H,14,15,16);1H
InChIKeyAVGWHKOVNLQLPZ-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.76
Rot. Bonds3

About 2-(piperidin-3-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride

2-(piperidin-3-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride (PubChem CID 71636962) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride.

Molecular Properties

Compound Name2-(piperidin-3-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride
PubChem CID71636962
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name2-(piperidin-3-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride
SMILESCl.c1cnc2nc(OCC3CCCNC3)[nH]c2c1
InChIInChI=1S/C12H16N4O.ClH/c1-3-9(7-13-5-1)8-17-12-15-10-4-2-6-14-11(10)16-12;/h2,4,6,9,13H,1,3,5,7-8H2,(H,14,15,16);1H
InChIKeyAVGWHKOVNLQLPZ-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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Related Compounds

2-[2-[(3S)-piperidin-3-yl]ethoxy]-1H-imidazo[4,5-b]pyridine
CID 97178280
2-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride
CID 71636966
2-piperidin-3-yloxy-1H-imidazo[4,5-b]pyridine;hydrochloride
CID 71637392
2-(2-piperidin-4-ylethoxy)-1H-imidazo[4,5-b]pyridine
CID 71636618
2-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 86318074
8-(piperidin-3-ylmethoxy)quinoline;dihydrochloride
CID 66523926
N-[(3R)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-amine;hydrochloride
CID 71637328
2-(2-piperidin-2-ylethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride
CID 71636567
2-ethoxy-1H-imidazo[4,5-b]pyridine
CID 69016773
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-amine
CID 97164634
2-(piperidin-3-ylmethoxy)pyridine-3-carboxamide
CID 55065117

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride?
The IUPAC name of 2-(piperidin-3-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride (CID 71636962) is 2-(piperidin-3-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride.
What is the SMILES notation for 2-(piperidin-3-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride?
The canonical SMILES for 2-(piperidin-3-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride is Cl.c1cnc2nc(OCC3CCCNC3)[nH]c2c1.
What is the InChIKey of 2-(piperidin-3-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride?
The InChIKey is AVGWHKOVNLQLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O.ClH/c1-3-9(7-13-5-1)8-17-12-15-10-4-2-6-14-11(10)16-12;/h2,4,6,9,13H,1,3,5,7-8H2,(H,14,15,16);1H.
What are the key properties of 2-(piperidin-3-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride?
2-(piperidin-3-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-3-ylmethoxy)-1H-imidazo[4,5-b]pyridine;hydrochloride is sourced from PubChem (CID 71636962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).