[1-(5,7-dihydrofuro[3,4-b]pyridin-2-yl)piperidin-4-yl]methanamine

C13H19N3O — CID 83841242

IUPAC[1-(5,7-dihydrofuro[3,4-b]pyridin-2-yl)piperidin-4-yl]methanamine
SMILESNCC1CCN(c2ccc3c(n2)COC3)CC1
InChIInChI=1S/C13H19N3O/c14-7-10-3-5-16(6-4-10)13-2-1-11-8-17-9-12(11)15-13/h1-2,10H,3-9,14H2
InChIKeyVNMRLXWRYHZPSB-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.29
Rot. Bonds2

About [1-(5,7-dihydrofuro[3,4-b]pyridin-2-yl)piperidin-4-yl]methanamine

[1-(5,7-dihydrofuro[3,4-b]pyridin-2-yl)piperidin-4-yl]methanamine (PubChem CID 83841242) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [1-(5,7-dihydrofuro[3,4-b]pyridin-2-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(5,7-dihydrofuro[3,4-b]pyridin-2-yl)piperidin-4-yl]methanamine
PubChem CID83841242
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[1-(5,7-dihydrofuro[3,4-b]pyridin-2-yl)piperidin-4-yl]methanamine
SMILESNCC1CCN(c2ccc3c(n2)COC3)CC1
InChIInChI=1S/C13H19N3O/c14-7-10-3-5-16(6-4-10)13-2-1-11-8-17-9-12(11)15-13/h1-2,10H,3-9,14H2
InChIKeyVNMRLXWRYHZPSB-UHFFFAOYSA-N
XLogP1.29
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(5,7-dihydrofuro[3,4-b]pyridin-2-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(5,7-dihydrofuro[3,4-b]pyridin-2-yl)piperidin-4-yl]methanamine (CID 83841242) is [1-(5,7-dihydrofuro[3,4-b]pyridin-2-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(5,7-dihydrofuro[3,4-b]pyridin-2-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(5,7-dihydrofuro[3,4-b]pyridin-2-yl)piperidin-4-yl]methanamine is NCC1CCN(c2ccc3c(n2)COC3)CC1.
What is the InChIKey of [1-(5,7-dihydrofuro[3,4-b]pyridin-2-yl)piperidin-4-yl]methanamine?
The InChIKey is VNMRLXWRYHZPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-7-10-3-5-16(6-4-10)13-2-1-11-8-17-9-12(11)15-13/h1-2,10H,3-9,14H2.
What are the key properties of [1-(5,7-dihydrofuro[3,4-b]pyridin-2-yl)piperidin-4-yl]methanamine?
[1-(5,7-dihydrofuro[3,4-b]pyridin-2-yl)piperidin-4-yl]methanamine has a molecular weight of 233.31 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,7-dihydrofuro[3,4-b]pyridin-2-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 83841242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).