1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-ol

C13H18N4O — CID 61434792

IUPAC1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-ol
SMILESNCc1c(N2CCCC(O)C2)nc2ccccn12
InChIInChI=1S/C13H18N4O/c14-8-11-13(16-6-3-4-10(18)9-16)15-12-5-1-2-7-17(11)12/h1-2,5,7,10,18H,3-4,6,8-9,14H2
InChIKeyWFDALHVXBSAJSQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.75
Rot. Bonds2

About 1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-ol

1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-ol (PubChem CID 61434792) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-ol
PubChem CID61434792
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-ol
SMILESNCc1c(N2CCCC(O)C2)nc2ccccn12
InChIInChI=1S/C13H18N4O/c14-8-11-13(16-6-3-4-10(18)9-16)15-12-5-1-2-7-17(11)12/h1-2,5,7,10,18H,3-4,6,8-9,14H2
InChIKeyWFDALHVXBSAJSQ-UHFFFAOYSA-N
XLogP0.75
TPSA66.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-ol?
The IUPAC name of 1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-ol (CID 61434792) is 1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-ol.
What is the SMILES notation for 1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-ol?
The canonical SMILES for 1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-ol is NCc1c(N2CCCC(O)C2)nc2ccccn12.
What is the InChIKey of 1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-ol?
The InChIKey is WFDALHVXBSAJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c14-8-11-13(16-6-3-4-10(18)9-16)15-12-5-1-2-7-17(11)12/h1-2,5,7,10,18H,3-4,6,8-9,14H2.
What are the key properties of 1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-ol?
1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-ol has a molecular weight of 246.31 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-ol is sourced from PubChem (CID 61434792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).