2-[1-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]butan-1-ol

C12H20N2O2 — CID 116984543

IUPAC2-[1-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]butan-1-ol
SMILESCCC(CO)c1nc(CO)c2n1CCCC2
InChIInChI=1S/C12H20N2O2/c1-2-9(7-15)12-13-10(8-16)11-5-3-4-6-14(11)12/h9,15-16H,2-8H2,1H3
InChIKeyXGTJMCCJGXBIPR-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.20
Rot. Bonds4

About 2-[1-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]butan-1-ol

2-[1-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]butan-1-ol (PubChem CID 116984543) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[1-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]butan-1-ol.

Molecular Properties

Compound Name2-[1-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]butan-1-ol
PubChem CID116984543
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[1-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]butan-1-ol
SMILESCCC(CO)c1nc(CO)c2n1CCCC2
InChIInChI=1S/C12H20N2O2/c1-2-9(7-15)12-13-10(8-16)11-5-3-4-6-14(11)12/h9,15-16H,2-8H2,1H3
InChIKeyXGTJMCCJGXBIPR-UHFFFAOYSA-N
XLogP1.20
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)butan-1-ol
CID 116984663
2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-N-methylbutan-1-amine
CID 116984672
[3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanol
CID 116984469
(3-hydrazinyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanol
CID 116984559
[3-[1-(hydroxymethyl)cyclobutyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanol
CID 116984533
(3-piperazin-1-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanol
CID 116984493
[3-(4-methylpiperazin-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanol
CID 116984511
3-bromo-1-(methylsulfanylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247191
2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
CID 81057696
1-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propan-2-amine
CID 83865351
(3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanol
CID 84660796
2-amino-1-(3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)ethanol
CID 83891326

Frequently Asked Questions

What is the IUPAC name of 2-[1-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]butan-1-ol?
The IUPAC name of 2-[1-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]butan-1-ol (CID 116984543) is 2-[1-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]butan-1-ol.
What is the SMILES notation for 2-[1-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]butan-1-ol?
The canonical SMILES for 2-[1-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]butan-1-ol is CCC(CO)c1nc(CO)c2n1CCCC2.
What is the InChIKey of 2-[1-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]butan-1-ol?
The InChIKey is XGTJMCCJGXBIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-9(7-15)12-13-10(8-16)11-5-3-4-6-14(11)12/h9,15-16H,2-8H2,1H3.
What are the key properties of 2-[1-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]butan-1-ol?
2-[1-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]butan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]butan-1-ol is sourced from PubChem (CID 116984543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).