2,6-bis(4-hydroxyphenyl)-3,5-dimethylpiperidin-4-one

C19H21NO3 — CID 2842454

IUPAC2,6-bis(4-hydroxyphenyl)-3,5-dimethylpiperidin-4-one
SMILESCC1C(=O)C(C)C(c2ccc(O)cc2)NC1c1ccc(O)cc1
InChIInChI=1S/C19H21NO3/c1-11-17(13-3-7-15(21)8-4-13)20-18(12(2)19(11)23)14-5-9-16(22)10-6-14/h3-12,17-18,20-22H,1-2H3
InChIKeyNFDDAJSPVPMMDU-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.32
Rot. Bonds2

About 2,6-bis(4-hydroxyphenyl)-3,5-dimethylpiperidin-4-one

2,6-bis(4-hydroxyphenyl)-3,5-dimethylpiperidin-4-one (PubChem CID 2842454) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2,6-bis(4-hydroxyphenyl)-3,5-dimethylpiperidin-4-one.

Molecular Properties

Compound Name2,6-bis(4-hydroxyphenyl)-3,5-dimethylpiperidin-4-one
PubChem CID2842454
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2,6-bis(4-hydroxyphenyl)-3,5-dimethylpiperidin-4-one
SMILESCC1C(=O)C(C)C(c2ccc(O)cc2)NC1c1ccc(O)cc1
InChIInChI=1S/C19H21NO3/c1-11-17(13-3-7-15(21)8-4-13)20-18(12(2)19(11)23)14-5-9-16(22)10-6-14/h3-12,17-18,20-22H,1-2H3
InChIKeyNFDDAJSPVPMMDU-UHFFFAOYSA-N
XLogP3.32
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,6-bis(4-hydroxyphenyl)-3,5-dimethylpiperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-hydroxyphenyl)-3,5-dimethylpiperidin-4-one?
The IUPAC name of 2,6-bis(4-hydroxyphenyl)-3,5-dimethylpiperidin-4-one (CID 2842454) is 2,6-bis(4-hydroxyphenyl)-3,5-dimethylpiperidin-4-one.
What is the SMILES notation for 2,6-bis(4-hydroxyphenyl)-3,5-dimethylpiperidin-4-one?
The canonical SMILES for 2,6-bis(4-hydroxyphenyl)-3,5-dimethylpiperidin-4-one is CC1C(=O)C(C)C(c2ccc(O)cc2)NC1c1ccc(O)cc1.
What is the InChIKey of 2,6-bis(4-hydroxyphenyl)-3,5-dimethylpiperidin-4-one?
The InChIKey is NFDDAJSPVPMMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-11-17(13-3-7-15(21)8-4-13)20-18(12(2)19(11)23)14-5-9-16(22)10-6-14/h3-12,17-18,20-22H,1-2H3.
What are the key properties of 2,6-bis(4-hydroxyphenyl)-3,5-dimethylpiperidin-4-one?
2,6-bis(4-hydroxyphenyl)-3,5-dimethylpiperidin-4-one has a molecular weight of 311.38 g/mol, XLogP of 3.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-hydroxyphenyl)-3,5-dimethylpiperidin-4-one is sourced from PubChem (CID 2842454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).