1-piperidin-4-yl-2,3-dihydroimidazo[4,5-b]pyridine;dihydrochloride

C11H18Cl2N4 — CID 173235933

IUPAC1-piperidin-4-yl-2,3-dihydroimidazo[4,5-b]pyridine;dihydrochloride
SMILESCl.Cl.c1cnc2c(c1)N(C1CCNCC1)CN2
InChIInChI=1S/C11H16N4.2ClH/c1-2-10-11(13-5-1)14-8-15(10)9-3-6-12-7-4-9;;/h1-2,5,9,12H,3-4,6-8H2,(H,13,14);2*1H
InChIKeyIGRBSNMWAWJRTM-UHFFFAOYSA-N
MW277.20 g/mol
LogP1.87
Rot. Bonds1

About 1-piperidin-4-yl-2,3-dihydroimidazo[4,5-b]pyridine;dihydrochloride

1-piperidin-4-yl-2,3-dihydroimidazo[4,5-b]pyridine;dihydrochloride (PubChem CID 173235933) has the molecular formula C11H18Cl2N4 and a molecular weight of 277.20 g/mol. Its IUPAC name is 1-piperidin-4-yl-2,3-dihydroimidazo[4,5-b]pyridine;dihydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-2,3-dihydroimidazo[4,5-b]pyridine;dihydrochloride
PubChem CID173235933
Molecular FormulaC11H18Cl2N4
Molecular Weight277.20 g/mol
Exact Mass276.09
IUPAC Name1-piperidin-4-yl-2,3-dihydroimidazo[4,5-b]pyridine;dihydrochloride
SMILESCl.Cl.c1cnc2c(c1)N(C1CCNCC1)CN2
InChIInChI=1S/C11H16N4.2ClH/c1-2-10-11(13-5-1)14-8-15(10)9-3-6-12-7-4-9;;/h1-2,5,9,12H,3-4,6-8H2,(H,13,14);2*1H
InChIKeyIGRBSNMWAWJRTM-UHFFFAOYSA-N
XLogP1.87
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-2,3-dihydroimidazo[4,5-b]pyridine;dihydrochloride?
The IUPAC name of 1-piperidin-4-yl-2,3-dihydroimidazo[4,5-b]pyridine;dihydrochloride (CID 173235933) is 1-piperidin-4-yl-2,3-dihydroimidazo[4,5-b]pyridine;dihydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-2,3-dihydroimidazo[4,5-b]pyridine;dihydrochloride?
The canonical SMILES for 1-piperidin-4-yl-2,3-dihydroimidazo[4,5-b]pyridine;dihydrochloride is Cl.Cl.c1cnc2c(c1)N(C1CCNCC1)CN2.
What is the InChIKey of 1-piperidin-4-yl-2,3-dihydroimidazo[4,5-b]pyridine;dihydrochloride?
The InChIKey is IGRBSNMWAWJRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4.2ClH/c1-2-10-11(13-5-1)14-8-15(10)9-3-6-12-7-4-9;;/h1-2,5,9,12H,3-4,6-8H2,(H,13,14);2*1H.
What are the key properties of 1-piperidin-4-yl-2,3-dihydroimidazo[4,5-b]pyridine;dihydrochloride?
1-piperidin-4-yl-2,3-dihydroimidazo[4,5-b]pyridine;dihydrochloride has a molecular weight of 277.20 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-2,3-dihydroimidazo[4,5-b]pyridine;dihydrochloride is sourced from PubChem (CID 173235933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).