1-chloro-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol

C13H20ClN3O — CID 117248335

IUPAC1-chloro-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
SMILESCN1CCC(c2nc(Cl)c3n2CC(O)CC3)CC1
InChIInChI=1S/C13H20ClN3O/c1-16-6-4-9(5-7-16)13-15-12(14)11-3-2-10(18)8-17(11)13/h9-10,18H,2-8H2,1H3
InChIKeyPTENVTOEYTUNQI-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.65
Rot. Bonds1

About 1-chloro-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol

1-chloro-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol (PubChem CID 117248335) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 1-chloro-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol.

Molecular Properties

Compound Name1-chloro-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
PubChem CID117248335
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name1-chloro-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
SMILESCN1CCC(c2nc(Cl)c3n2CC(O)CC3)CC1
InChIInChI=1S/C13H20ClN3O/c1-16-6-4-9(5-7-16)13-15-12(14)11-3-2-10(18)8-17(11)13/h9-10,18H,2-8H2,1H3
InChIKeyPTENVTOEYTUNQI-UHFFFAOYSA-N
XLogP1.65
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
The IUPAC name of 1-chloro-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol (CID 117248335) is 1-chloro-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol.
What is the SMILES notation for 1-chloro-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
The canonical SMILES for 1-chloro-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol is CN1CCC(c2nc(Cl)c3n2CC(O)CC3)CC1.
What is the InChIKey of 1-chloro-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
The InChIKey is PTENVTOEYTUNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-16-6-4-9(5-7-16)13-15-12(14)11-3-2-10(18)8-17(11)13/h9-10,18H,2-8H2,1H3.
What are the key properties of 1-chloro-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
1-chloro-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol has a molecular weight of 269.78 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol is sourced from PubChem (CID 117248335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).