3,6-dihydroxy-1-methyl-4,5-diphenylpiperidin-2-one

C18H19NO3 — CID 10685418

IUPAC3,6-dihydroxy-1-methyl-4,5-diphenylpiperidin-2-one
SMILESCN1C(=O)C(O)C(c2ccccc2)C(c2ccccc2)C1O
InChIInChI=1S/C18H19NO3/c1-19-17(21)15(13-10-6-3-7-11-13)14(16(20)18(19)22)12-8-4-2-5-9-12/h2-11,14-17,20-21H,1H3
InChIKeyFTFQYXRXXIHIHC-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.71
Rot. Bonds2

About 3,6-dihydroxy-1-methyl-4,5-diphenylpiperidin-2-one

3,6-dihydroxy-1-methyl-4,5-diphenylpiperidin-2-one (PubChem CID 10685418) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3,6-dihydroxy-1-methyl-4,5-diphenylpiperidin-2-one.

Molecular Properties

Compound Name3,6-dihydroxy-1-methyl-4,5-diphenylpiperidin-2-one
PubChem CID10685418
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3,6-dihydroxy-1-methyl-4,5-diphenylpiperidin-2-one
SMILESCN1C(=O)C(O)C(c2ccccc2)C(c2ccccc2)C1O
InChIInChI=1S/C18H19NO3/c1-19-17(21)15(13-10-6-3-7-11-13)14(16(20)18(19)22)12-8-4-2-5-9-12/h2-11,14-17,20-21H,1H3
InChIKeyFTFQYXRXXIHIHC-UHFFFAOYSA-N
XLogP1.71
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydroxy-1-methyl-4,5-diphenylpiperidin-2-one?
The IUPAC name of 3,6-dihydroxy-1-methyl-4,5-diphenylpiperidin-2-one (CID 10685418) is 3,6-dihydroxy-1-methyl-4,5-diphenylpiperidin-2-one.
What is the SMILES notation for 3,6-dihydroxy-1-methyl-4,5-diphenylpiperidin-2-one?
The canonical SMILES for 3,6-dihydroxy-1-methyl-4,5-diphenylpiperidin-2-one is CN1C(=O)C(O)C(c2ccccc2)C(c2ccccc2)C1O.
What is the InChIKey of 3,6-dihydroxy-1-methyl-4,5-diphenylpiperidin-2-one?
The InChIKey is FTFQYXRXXIHIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-19-17(21)15(13-10-6-3-7-11-13)14(16(20)18(19)22)12-8-4-2-5-9-12/h2-11,14-17,20-21H,1H3.
What are the key properties of 3,6-dihydroxy-1-methyl-4,5-diphenylpiperidin-2-one?
3,6-dihydroxy-1-methyl-4,5-diphenylpiperidin-2-one has a molecular weight of 297.35 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydroxy-1-methyl-4,5-diphenylpiperidin-2-one is sourced from PubChem (CID 10685418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).