2-(7-piperazin-1-ylimidazo[1,5-a]pyridin-3-yl)ethanol

C13H18N4O — CID 117236108

IUPAC2-(7-piperazin-1-ylimidazo[1,5-a]pyridin-3-yl)ethanol
SMILESOCCc1ncc2cc(N3CCNCC3)ccn12
InChIInChI=1S/C13H18N4O/c18-8-2-13-15-10-12-9-11(1-5-17(12)13)16-6-3-14-4-7-16/h1,5,9-10,14,18H,2-4,6-8H2
InChIKeyRYYYOTGKYCBYML-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.28
Rot. Bonds3

About 2-(7-piperazin-1-ylimidazo[1,5-a]pyridin-3-yl)ethanol

2-(7-piperazin-1-ylimidazo[1,5-a]pyridin-3-yl)ethanol (PubChem CID 117236108) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(7-piperazin-1-ylimidazo[1,5-a]pyridin-3-yl)ethanol.

Molecular Properties

Compound Name2-(7-piperazin-1-ylimidazo[1,5-a]pyridin-3-yl)ethanol
PubChem CID117236108
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-(7-piperazin-1-ylimidazo[1,5-a]pyridin-3-yl)ethanol
SMILESOCCc1ncc2cc(N3CCNCC3)ccn12
InChIInChI=1S/C13H18N4O/c18-8-2-13-15-10-12-9-11(1-5-17(12)13)16-6-3-14-4-7-16/h1,5,9-10,14,18H,2-4,6-8H2
InChIKeyRYYYOTGKYCBYML-UHFFFAOYSA-N
XLogP0.28
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-piperazin-1-ylimidazo[1,5-a]pyridin-3-yl)ethanol?
The IUPAC name of 2-(7-piperazin-1-ylimidazo[1,5-a]pyridin-3-yl)ethanol (CID 117236108) is 2-(7-piperazin-1-ylimidazo[1,5-a]pyridin-3-yl)ethanol.
What is the SMILES notation for 2-(7-piperazin-1-ylimidazo[1,5-a]pyridin-3-yl)ethanol?
The canonical SMILES for 2-(7-piperazin-1-ylimidazo[1,5-a]pyridin-3-yl)ethanol is OCCc1ncc2cc(N3CCNCC3)ccn12.
What is the InChIKey of 2-(7-piperazin-1-ylimidazo[1,5-a]pyridin-3-yl)ethanol?
The InChIKey is RYYYOTGKYCBYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c18-8-2-13-15-10-12-9-11(1-5-17(12)13)16-6-3-14-4-7-16/h1,5,9-10,14,18H,2-4,6-8H2.
What are the key properties of 2-(7-piperazin-1-ylimidazo[1,5-a]pyridin-3-yl)ethanol?
2-(7-piperazin-1-ylimidazo[1,5-a]pyridin-3-yl)ethanol has a molecular weight of 246.31 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-piperazin-1-ylimidazo[1,5-a]pyridin-3-yl)ethanol is sourced from PubChem (CID 117236108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).