2,6-diphenyl-3-propan-2-ylpiperidin-4-one

C20H23NO — CID 2841109

IUPAC2,6-diphenyl-3-propan-2-ylpiperidin-4-one
SMILESCC(C)C1C(=O)CC(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C20H23NO/c1-14(2)19-18(22)13-17(15-9-5-3-6-10-15)21-20(19)16-11-7-4-8-12-16/h3-12,14,17,19-21H,13H2,1-2H3
InChIKeyLXVGVXNRKSJPEM-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.30
Rot. Bonds3

About 2,6-diphenyl-3-propan-2-ylpiperidin-4-one

2,6-diphenyl-3-propan-2-ylpiperidin-4-one (PubChem CID 2841109) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 2,6-diphenyl-3-propan-2-ylpiperidin-4-one.

Molecular Properties

Compound Name2,6-diphenyl-3-propan-2-ylpiperidin-4-one
PubChem CID2841109
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name2,6-diphenyl-3-propan-2-ylpiperidin-4-one
SMILESCC(C)C1C(=O)CC(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C20H23NO/c1-14(2)19-18(22)13-17(15-9-5-3-6-10-15)21-20(19)16-11-7-4-8-12-16/h3-12,14,17,19-21H,13H2,1-2H3
InChIKeyLXVGVXNRKSJPEM-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-3-propan-2-ylpiperidin-4-one?
The IUPAC name of 2,6-diphenyl-3-propan-2-ylpiperidin-4-one (CID 2841109) is 2,6-diphenyl-3-propan-2-ylpiperidin-4-one.
What is the SMILES notation for 2,6-diphenyl-3-propan-2-ylpiperidin-4-one?
The canonical SMILES for 2,6-diphenyl-3-propan-2-ylpiperidin-4-one is CC(C)C1C(=O)CC(c2ccccc2)NC1c1ccccc1.
What is the InChIKey of 2,6-diphenyl-3-propan-2-ylpiperidin-4-one?
The InChIKey is LXVGVXNRKSJPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-14(2)19-18(22)13-17(15-9-5-3-6-10-15)21-20(19)16-11-7-4-8-12-16/h3-12,14,17,19-21H,13H2,1-2H3.
What are the key properties of 2,6-diphenyl-3-propan-2-ylpiperidin-4-one?
2,6-diphenyl-3-propan-2-ylpiperidin-4-one has a molecular weight of 293.41 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-3-propan-2-ylpiperidin-4-one is sourced from PubChem (CID 2841109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).