3-(piperazin-1-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine

C12H17N3O — CID 83837195

IUPAC3-(piperazin-1-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine
SMILESc1nc2c(cc1CN1CCNCC1)COC2
InChIInChI=1S/C12H17N3O/c1-3-15(4-2-13-1)7-10-5-11-8-16-9-12(11)14-6-10/h5-6,13H,1-4,7-9H2
InChIKeyUAXUDGXIKVELIX-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.52
Rot. Bonds2

About 3-(piperazin-1-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine

3-(piperazin-1-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine (PubChem CID 83837195) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(piperazin-1-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine.

Molecular Properties

Compound Name3-(piperazin-1-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine
PubChem CID83837195
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-(piperazin-1-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine
SMILESc1nc2c(cc1CN1CCNCC1)COC2
InChIInChI=1S/C12H17N3O/c1-3-15(4-2-13-1)7-10-5-11-8-16-9-12(11)14-6-10/h5-6,13H,1-4,7-9H2
InChIKeyUAXUDGXIKVELIX-UHFFFAOYSA-N
XLogP0.52
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-1-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine?
The IUPAC name of 3-(piperazin-1-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine (CID 83837195) is 3-(piperazin-1-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine.
What is the SMILES notation for 3-(piperazin-1-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine?
The canonical SMILES for 3-(piperazin-1-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine is c1nc2c(cc1CN1CCNCC1)COC2.
What is the InChIKey of 3-(piperazin-1-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine?
The InChIKey is UAXUDGXIKVELIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-15(4-2-13-1)7-10-5-11-8-16-9-12(11)14-6-10/h5-6,13H,1-4,7-9H2.
What are the key properties of 3-(piperazin-1-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine?
3-(piperazin-1-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine has a molecular weight of 219.29 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazin-1-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine is sourced from PubChem (CID 83837195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).