5-hydroxy-2-[[methyl(piperidin-4-yl)amino]methyl]pyran-4-one

C12H18N2O3 — CID 43607675

IUPAC5-hydroxy-2-[[methyl(piperidin-4-yl)amino]methyl]pyran-4-one
SMILESCN(Cc1cc(=O)c(O)co1)C1CCNCC1
InChIInChI=1S/C12H18N2O3/c1-14(9-2-4-13-5-3-9)7-10-6-11(15)12(16)8-17-10/h6,8-9,13,16H,2-5,7H2,1H3
InChIKeyGTQQAPVNBVRYQY-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.53
Rot. Bonds3

About 5-hydroxy-2-[[methyl(piperidin-4-yl)amino]methyl]pyran-4-one

5-hydroxy-2-[[methyl(piperidin-4-yl)amino]methyl]pyran-4-one (PubChem CID 43607675) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-hydroxy-2-[[methyl(piperidin-4-yl)amino]methyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[[methyl(piperidin-4-yl)amino]methyl]pyran-4-one
PubChem CID43607675
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-hydroxy-2-[[methyl(piperidin-4-yl)amino]methyl]pyran-4-one
SMILESCN(Cc1cc(=O)c(O)co1)C1CCNCC1
InChIInChI=1S/C12H18N2O3/c1-14(9-2-4-13-5-3-9)7-10-6-11(15)12(16)8-17-10/h6,8-9,13,16H,2-5,7H2,1H3
InChIKeyGTQQAPVNBVRYQY-UHFFFAOYSA-N
XLogP0.53
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
(3-Hydroxy-4-oxopyran-2-yl)methyl-[3-[(3-hydroxy-4-oxopyran-2-yl)methyl-methylazaniumyl]propyl]-methylazanium
CID 155639518
5-Hydroxy-2-[(4-methylpiperazin-4-ium-1-yl)methyl]pyran-4-one bromide
CID 162336449
2-[(4-Aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one
CID 43556537
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

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[methyl(piperidin-4-yl)amino]methyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[[methyl(piperidin-4-yl)amino]methyl]pyran-4-one (CID 43607675) is 5-hydroxy-2-[[methyl(piperidin-4-yl)amino]methyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[[methyl(piperidin-4-yl)amino]methyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[[methyl(piperidin-4-yl)amino]methyl]pyran-4-one is CN(Cc1cc(=O)c(O)co1)C1CCNCC1.
What is the InChIKey of 5-hydroxy-2-[[methyl(piperidin-4-yl)amino]methyl]pyran-4-one?
The InChIKey is GTQQAPVNBVRYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-14(9-2-4-13-5-3-9)7-10-6-11(15)12(16)8-17-10/h6,8-9,13,16H,2-5,7H2,1H3.
What are the key properties of 5-hydroxy-2-[[methyl(piperidin-4-yl)amino]methyl]pyran-4-one?
5-hydroxy-2-[[methyl(piperidin-4-yl)amino]methyl]pyran-4-one has a molecular weight of 238.29 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[methyl(piperidin-4-yl)amino]methyl]pyran-4-one is sourced from PubChem (CID 43607675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).