2,3,6-triphenylpiperidin-4-one

C23H21NO — CID 3079035

IUPAC2,3,6-triphenylpiperidin-4-one
SMILESO=C1CC(c2ccccc2)NC(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C23H21NO/c25-21-16-20(17-10-4-1-5-11-17)24-23(19-14-8-3-9-15-19)22(21)18-12-6-2-7-13-18/h1-15,20,22-24H,16H2
InChIKeyVPPWKQCLUBXUKR-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.82
Rot. Bonds3

About 2,3,6-triphenylpiperidin-4-one

2,3,6-triphenylpiperidin-4-one (PubChem CID 3079035) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 2,3,6-triphenylpiperidin-4-one.

Molecular Properties

Compound Name2,3,6-triphenylpiperidin-4-one
PubChem CID3079035
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name2,3,6-triphenylpiperidin-4-one
SMILESO=C1CC(c2ccccc2)NC(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C23H21NO/c25-21-16-20(17-10-4-1-5-11-17)24-23(19-14-8-3-9-15-19)22(21)18-12-6-2-7-13-18/h1-15,20,22-24H,16H2
InChIKeyVPPWKQCLUBXUKR-UHFFFAOYSA-N
XLogP4.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-triphenylpiperidin-4-one?
The IUPAC name of 2,3,6-triphenylpiperidin-4-one (CID 3079035) is 2,3,6-triphenylpiperidin-4-one.
What is the SMILES notation for 2,3,6-triphenylpiperidin-4-one?
The canonical SMILES for 2,3,6-triphenylpiperidin-4-one is O=C1CC(c2ccccc2)NC(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 2,3,6-triphenylpiperidin-4-one?
The InChIKey is VPPWKQCLUBXUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c25-21-16-20(17-10-4-1-5-11-17)24-23(19-14-8-3-9-15-19)22(21)18-12-6-2-7-13-18/h1-15,20,22-24H,16H2.
What are the key properties of 2,3,6-triphenylpiperidin-4-one?
2,3,6-triphenylpiperidin-4-one has a molecular weight of 327.43 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-triphenylpiperidin-4-one is sourced from PubChem (CID 3079035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).