N-(piperidin-2-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridin-2-amine

C13H19N3O — CID 83841237

IUPACN-(piperidin-2-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridin-2-amine
SMILESc1cc2c(nc1NCC1CCCCN1)COC2
InChIInChI=1S/C13H19N3O/c1-2-6-14-11(3-1)7-15-13-5-4-10-8-17-9-12(10)16-13/h4-5,11,14H,1-3,6-9H2,(H,15,16)
InChIKeyIXBQCUDSOCIXSX-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.67
Rot. Bonds3

About N-(piperidin-2-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridin-2-amine

N-(piperidin-2-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridin-2-amine (PubChem CID 83841237) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridin-2-amine
PubChem CID83841237
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(piperidin-2-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridin-2-amine
SMILESc1cc2c(nc1NCC1CCCCN1)COC2
InChIInChI=1S/C13H19N3O/c1-2-6-14-11(3-1)7-15-13-5-4-10-8-17-9-12(10)16-13/h4-5,11,14H,1-3,6-9H2,(H,15,16)
InChIKeyIXBQCUDSOCIXSX-UHFFFAOYSA-N
XLogP1.67
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridin-2-amine?
The IUPAC name of N-(piperidin-2-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridin-2-amine (CID 83841237) is N-(piperidin-2-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridin-2-amine.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridin-2-amine?
The canonical SMILES for N-(piperidin-2-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridin-2-amine is c1cc2c(nc1NCC1CCCCN1)COC2.
What is the InChIKey of N-(piperidin-2-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridin-2-amine?
The InChIKey is IXBQCUDSOCIXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-6-14-11(3-1)7-15-13-5-4-10-8-17-9-12(10)16-13/h4-5,11,14H,1-3,6-9H2,(H,15,16).
What are the key properties of N-(piperidin-2-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridin-2-amine?
N-(piperidin-2-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridin-2-amine has a molecular weight of 233.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridin-2-amine is sourced from PubChem (CID 83841237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).