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

C11H16N2O3 — CID 43556537

IUPAC2-[(4-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one
SMILESNC1CCN(Cc2cc(=O)c(O)co2)CC1
InChIInChI=1S/C11H16N2O3/c12-8-1-3-13(4-2-8)6-9-5-10(14)11(15)7-16-9/h5,7-8,15H,1-4,6,12H2
InChIKeyUSYCCFDLPSIQRM-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.27
Rot. Bonds2

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

2-[(4-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one (PubChem CID 43556537) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(4-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one.

Molecular Properties

Compound Name2-[(4-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one
PubChem CID43556537
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[(4-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one
SMILESNC1CCN(Cc2cc(=O)c(O)co2)CC1
InChIInChI=1S/C11H16N2O3/c12-8-1-3-13(4-2-8)6-9-5-10(14)11(15)7-16-9/h5,7-8,15H,1-4,6,12H2
InChIKeyUSYCCFDLPSIQRM-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

Analyze 2-[(4-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydroxy-2-(piperidin-1-ylmethyl)-4H-pyran-4-one
CID 71685911
2-[(Cyclohexylamino)methyl]-5-hydroxypyran-4-one
CID 130407636
2,2'-[Butane-1,4-diylbis(iminomethanediyl)]bis(5-hydroxy-4h-pyran-4-one)
CID 162761122
2,2'-[Propane-1,3-diylbis(iminomethanediyl)]bis(5-hydroxy-4h-pyran-4-one)
CID 171127143
5-hydroxy-2-(piperazin-1-ylmethyl)-4H-pyran-4-one
CID 33679502
5-Hydroxy-2-[(4-methylpiperazin-4-ium-1-yl)methyl]pyran-4-one
CID 57629430
4-[(5-Methoxy-4-oxopyran-2-yl)methylamino]piperidine-1-carboxylic acid
CID 87452935
(5-Methoxy-4-oxopyran-2-yl)methyl-piperidin-4-ylcarbamic acid
CID 91557481
5-Hydroxy-2-[[methyl(piperidin-4-yl)amino]methyl]pyran-4-one
CID 43607675
5-Hydroxy-2-[(3-piperidin-1-ylpropylamino)methyl]pyran-4-one
CID 49788915
2-[[Ethyl(piperidin-4-yl)amino]methyl]-5-hydroxypyran-4-one
CID 54923446
5-Hydroxy-2-[[piperidin-4-yl(propyl)amino]methyl]pyran-4-one
CID 54923689

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one?
The IUPAC name of 2-[(4-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one (CID 43556537) is 2-[(4-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one.
What is the SMILES notation for 2-[(4-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one?
The canonical SMILES for 2-[(4-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one is NC1CCN(Cc2cc(=O)c(O)co2)CC1.
What is the InChIKey of 2-[(4-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one?
The InChIKey is USYCCFDLPSIQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c12-8-1-3-13(4-2-8)6-9-5-10(14)11(15)7-16-9/h5,7-8,15H,1-4,6,12H2.
What are the key properties of 2-[(4-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one?
2-[(4-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-[(4-aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one is sourced from PubChem (CID 43556537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).