2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-5-hydroxypyran-4-one

C14H22N2O3 — CID 79717059

IUPAC2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-5-hydroxypyran-4-one
SMILESCCN(Cc1cc(=O)c(O)co1)CC1CCNCC1
InChIInChI=1S/C14H22N2O3/c1-2-16(8-11-3-5-15-6-4-11)9-12-7-13(17)14(18)10-19-12/h7,10-11,15,18H,2-6,8-9H2,1H3
InChIKeySPPYUJAVAYLEMS-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.17
Rot. Bonds5

About 2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-5-hydroxypyran-4-one

2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-5-hydroxypyran-4-one (PubChem CID 79717059) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-5-hydroxypyran-4-one.

Molecular Properties

Compound Name2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-5-hydroxypyran-4-one
PubChem CID79717059
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-5-hydroxypyran-4-one
SMILESCCN(Cc1cc(=O)c(O)co1)CC1CCNCC1
InChIInChI=1S/C14H22N2O3/c1-2-16(8-11-3-5-15-6-4-11)9-12-7-13(17)14(18)10-19-12/h7,10-11,15,18H,2-6,8-9H2,1H3
InChIKeySPPYUJAVAYLEMS-UHFFFAOYSA-N
XLogP1.17
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Hydroxy-2-[(2-methylpropylamino)methyl]pyran-4-one
CID 130407941
3-Hydroxy-6-methyl-2-[(4-methyl-1-piperidyl)methyl]pyran-4-one
CID 71591029
5-Hydroxy-2-[(4-methylpiperazin-4-ium-1-yl)methyl]pyran-4-one
CID 57629430
5-Hydroxy-2-[(4-methylpiperazin-4-ium-1-yl)methyl]pyran-4-one bromide
CID 162336449
3-Hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]pyran-4-one
CID 4104128
6-(Hydroxymethyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxopyran-3-olate
CID 28356691
2-[(4-Aminopiperidin-1-yl)methyl]-5-hydroxypyran-4-one
CID 43556537
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
5-Hydroxy-2-[[3-(methylamino)piperidin-1-yl]methyl]pyran-4-one
CID 55086059

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-5-hydroxypyran-4-one?
The IUPAC name of 2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-5-hydroxypyran-4-one (CID 79717059) is 2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-5-hydroxypyran-4-one.
What is the SMILES notation for 2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-5-hydroxypyran-4-one?
The canonical SMILES for 2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-5-hydroxypyran-4-one is CCN(Cc1cc(=O)c(O)co1)CC1CCNCC1.
What is the InChIKey of 2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-5-hydroxypyran-4-one?
The InChIKey is SPPYUJAVAYLEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-16(8-11-3-5-15-6-4-11)9-12-7-13(17)14(18)10-19-12/h7,10-11,15,18H,2-6,8-9H2,1H3.
What are the key properties of 2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-5-hydroxypyran-4-one?
2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-5-hydroxypyran-4-one has a molecular weight of 266.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-5-hydroxypyran-4-one is sourced from PubChem (CID 79717059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).