2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one

C19H23NO4 — CID 1279742

IUPAC2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one
SMILESO=c1cc(CO)oc(CN2CCC(Cc3ccccc3)CC2)c1O
InChIInChI=1S/C19H23NO4/c21-13-16-11-17(22)19(23)18(24-16)12-20-8-6-15(7-9-20)10-14-4-2-1-3-5-14/h1-5,11,15,21,23H,6-10,12-13H2
InChIKeyUONYSRAMGJJHJX-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.29
Rot. Bonds5

About 2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one

2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one (PubChem CID 1279742) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one.

Molecular Properties

Compound Name2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one
PubChem CID1279742
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one
SMILESO=c1cc(CO)oc(CN2CCC(Cc3ccccc3)CC2)c1O
InChIInChI=1S/C19H23NO4/c21-13-16-11-17(22)19(23)18(24-16)12-20-8-6-15(7-9-20)10-14-4-2-1-3-5-14/h1-5,11,15,21,23H,6-10,12-13H2
InChIKeyUONYSRAMGJJHJX-UHFFFAOYSA-N
XLogP2.29
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-benzylpiperazin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one
CID 1478119
2-((4-benzylpiperidin-1-yl)methyl)-3-hydroxy-6-methyl-4H-pyran-4-one
CID 53367935
3-Hydroxy-6-methyl-2-[(4-phenyl-1-piperidyl)methyl]pyran-4-one
CID 71591064
2-{[benzyl(methyl)amino]methyl}-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one
CID 1478122
3-Hydroxy-6-(hydroxymethyl)-2-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyran-4-one
CID 139562110
2-[[Benzyl(methyl)azaniumyl]methyl]-6-(hydroxymethyl)-4-oxopyran-3-olate
CID 28907127
2-[(4-Acetyl-4-phenylpiperidin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one
CID 46188299
2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one
CID 46188300
2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one
CID 17547587
2-[[4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]methyl]-6-(hydroxymethyl)-4-oxopyran-3-olate
CID 31882308
2-((4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one
CID 71704719
2-[[4-(4-Fluorophenyl)piperidin-1-yl]methyl]-5-hydroxypyran-4-one
CID 71975073

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one?
The IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one (CID 1279742) is 2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one.
What is the SMILES notation for 2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one?
The canonical SMILES for 2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one is O=c1cc(CO)oc(CN2CCC(Cc3ccccc3)CC2)c1O.
What is the InChIKey of 2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one?
The InChIKey is UONYSRAMGJJHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c21-13-16-11-17(22)19(23)18(24-16)12-20-8-6-15(7-9-20)10-14-4-2-1-3-5-14/h1-5,11,15,21,23H,6-10,12-13H2.
What are the key properties of 2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one?
2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one has a molecular weight of 329.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one is sourced from PubChem (CID 1279742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).