2-[(3-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one

C11H16N2O3 — CID 61296877

IUPAC2-[(3-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one
SMILESNC1CCCN(Cc2cc(=O)c(O)co2)C1
InChIInChI=1S/C11H16N2O3/c12-8-2-1-3-13(5-8)6-9-4-10(14)11(15)7-16-9/h4,7-8,15H,1-3,5-6,12H2
InChIKeyXAHFVERZEAAXFV-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.27
Rot. Bonds2

About 2-[(3-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one

2-[(3-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one (PubChem CID 61296877) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(3-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one.

Molecular Properties

Compound Name2-[(3-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one
PubChem CID61296877
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[(3-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one
SMILESNC1CCCN(Cc2cc(=O)c(O)co2)C1
InChIInChI=1S/C11H16N2O3/c12-8-2-1-3-13(5-8)6-9-4-10(14)11(15)7-16-9/h4,7-8,15H,1-3,5-6,12H2
InChIKeyXAHFVERZEAAXFV-UHFFFAOYSA-N
XLogP0.27
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one?
The IUPAC name of 2-[(3-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one (CID 61296877) is 2-[(3-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one.
What is the SMILES notation for 2-[(3-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one?
The canonical SMILES for 2-[(3-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one is NC1CCCN(Cc2cc(=O)c(O)co2)C1.
What is the InChIKey of 2-[(3-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one?
The InChIKey is XAHFVERZEAAXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c12-8-2-1-3-13(5-8)6-9-4-10(14)11(15)7-16-9/h4,7-8,15H,1-3,5-6,12H2.
What are the key properties of 2-[(3-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one?
2-[(3-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one has a molecular weight of 224.26 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one is sourced from PubChem (CID 61296877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).