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

C18H21NO3 — CID 71591064

IUPAC3-hydroxy-6-methyl-2-[(4-phenylpiperidin-1-yl)methyl]pyran-4-one
SMILESCc1cc(=O)c(O)c(CN2CCC(c3ccccc3)CC2)o1
InChIInChI=1S/C18H21NO3/c1-13-11-16(20)18(21)17(22-13)12-19-9-7-15(8-10-19)14-5-3-2-4-6-14/h2-6,11,15,21H,7-10,12H2,1H3
InChIKeyBJPRZFZZWYBYRG-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.03
Rot. Bonds3

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

3-hydroxy-6-methyl-2-[(4-phenylpiperidin-1-yl)methyl]pyran-4-one (PubChem CID 71591064) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-2-[(4-phenylpiperidin-1-yl)methyl]pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-6-methyl-2-[(4-phenylpiperidin-1-yl)methyl]pyran-4-one
PubChem CID71591064
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-hydroxy-6-methyl-2-[(4-phenylpiperidin-1-yl)methyl]pyran-4-one
SMILESCc1cc(=O)c(O)c(CN2CCC(c3ccccc3)CC2)o1
InChIInChI=1S/C18H21NO3/c1-13-11-16(20)18(21)17(22-13)12-19-9-7-15(8-10-19)14-5-3-2-4-6-14/h2-6,11,15,21H,7-10,12H2,1H3
InChIKeyBJPRZFZZWYBYRG-UHFFFAOYSA-N
XLogP3.03
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one
CID 1279742
2-({3-[2-(2,6-difluorophenyl)ethyl]-1-piperidinyl}methyl)-5-methoxy-4H-pyran-4-one
CID 56914347
2-[(4-Benzylpiperazin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one
CID 11738538
2-{[(Biphenyl-4-ylmethyl)-amino]-methyl}-3-hydroxy-6-methyl-pyran-4-one
CID 44591880
2-[(4-Acetyl-4-phenyl-1-piperidyl)methyl]-6-(chloromethyl)-3-hydroxy-pyran-4-one
CID 46933480
2-((4-benzylpiperidin-1-yl)methyl)-3-hydroxy-6-methyl-4H-pyran-4-one
CID 53367935
5-methoxy-2-({3-[2-(2-methylphenyl)ethyl]-1-piperidinyl}methyl)-4H-pyran-4-one
CID 56899648
2-({3-[2-(3,4-difluorophenyl)ethyl]-1-piperidinyl}methyl)-5-methoxy-4H-pyran-4-one
CID 56901329
2-({3-[2-(4-fluorophenyl)ethyl]-1-piperidinyl}methyl)-5-methoxy-4H-pyran-4-one
CID 56909309
2-({3-[2-(2-fluorophenyl)ethyl]-1-piperidinyl}methyl)-5-methoxy-4H-pyran-4-one
CID 56914558
1-[[6-(Chloromethyl)-3-hydroxy-4-oxopyran-2-yl]methyl]-4-phenylpiperidine-4-carbonitrile
CID 71654946
6-(chloromethyl)-3-hydroxy-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyran-4-one
CID 71654947

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-2-[(4-phenylpiperidin-1-yl)methyl]pyran-4-one?
The IUPAC name of 3-hydroxy-6-methyl-2-[(4-phenylpiperidin-1-yl)methyl]pyran-4-one (CID 71591064) is 3-hydroxy-6-methyl-2-[(4-phenylpiperidin-1-yl)methyl]pyran-4-one.
What is the SMILES notation for 3-hydroxy-6-methyl-2-[(4-phenylpiperidin-1-yl)methyl]pyran-4-one?
The canonical SMILES for 3-hydroxy-6-methyl-2-[(4-phenylpiperidin-1-yl)methyl]pyran-4-one is Cc1cc(=O)c(O)c(CN2CCC(c3ccccc3)CC2)o1.
What is the InChIKey of 3-hydroxy-6-methyl-2-[(4-phenylpiperidin-1-yl)methyl]pyran-4-one?
The InChIKey is BJPRZFZZWYBYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-11-16(20)18(21)17(22-13)12-19-9-7-15(8-10-19)14-5-3-2-4-6-14/h2-6,11,15,21H,7-10,12H2,1H3.
What are the key properties of 3-hydroxy-6-methyl-2-[(4-phenylpiperidin-1-yl)methyl]pyran-4-one?
3-hydroxy-6-methyl-2-[(4-phenylpiperidin-1-yl)methyl]pyran-4-one has a molecular weight of 299.37 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-2-[(4-phenylpiperidin-1-yl)methyl]pyran-4-one is sourced from PubChem (CID 71591064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).