3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridin-8-ol

C13H17N3O — CID 105489731

IUPAC3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridin-8-ol
SMILESOc1cccn2c(CC3CCNCC3)ncc12
InChIInChI=1S/C13H17N3O/c17-12-2-1-7-16-11(12)9-15-13(16)8-10-3-5-14-6-4-10/h1-2,7,9-10,14,17H,3-6,8H2
InChIKeyPJCPAPRXVKPCLN-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.58
Rot. Bonds2

About 3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridin-8-ol

3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridin-8-ol (PubChem CID 105489731) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridin-8-ol.

Molecular Properties

Compound Name3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridin-8-ol
PubChem CID105489731
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridin-8-ol
SMILESOc1cccn2c(CC3CCNCC3)ncc12
InChIInChI=1S/C13H17N3O/c17-12-2-1-7-16-11(12)9-15-13(16)8-10-3-5-14-6-4-10/h1-2,7,9-10,14,17H,3-6,8H2
InChIKeyPJCPAPRXVKPCLN-UHFFFAOYSA-N
XLogP1.58
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridin-8-ol?
The IUPAC name of 3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridin-8-ol (CID 105489731) is 3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridin-8-ol.
What is the SMILES notation for 3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridin-8-ol?
The canonical SMILES for 3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridin-8-ol is Oc1cccn2c(CC3CCNCC3)ncc12.
What is the InChIKey of 3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridin-8-ol?
The InChIKey is PJCPAPRXVKPCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-12-2-1-7-16-11(12)9-15-13(16)8-10-3-5-14-6-4-10/h1-2,7,9-10,14,17H,3-6,8H2.
What are the key properties of 3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridin-8-ol?
3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridin-8-ol has a molecular weight of 231.30 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridin-8-ol is sourced from PubChem (CID 105489731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).