(2R,6S)-1-methyl-2,6-diphenylpiperidin-4-one

C18H19NO — CID 721014

IUPAC(2R,6S)-1-methyl-2,6-diphenylpiperidin-4-one
SMILESCN1[C@@H](c2ccccc2)CC(=O)C[C@H]1c1ccccc1
InChIInChI=1S/C18H19NO/c1-19-17(14-8-4-2-5-9-14)12-16(20)13-18(19)15-10-6-3-7-11-15/h2-11,17-18H,12-13H2,1H3/t17-,18+
InChIKeyUICNNPDZLGFJRO-HDICACEKSA-N
MW265.36 g/mol
LogP3.76
Rot. Bonds2

About (2R,6S)-1-methyl-2,6-diphenylpiperidin-4-one

(2R,6S)-1-methyl-2,6-diphenylpiperidin-4-one (PubChem CID 721014) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (2R,6S)-1-methyl-2,6-diphenylpiperidin-4-one.

Molecular Properties

Compound Name(2R,6S)-1-methyl-2,6-diphenylpiperidin-4-one
PubChem CID721014
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(2R,6S)-1-methyl-2,6-diphenylpiperidin-4-one
SMILESCN1[C@@H](c2ccccc2)CC(=O)C[C@H]1c1ccccc1
InChIInChI=1S/C18H19NO/c1-19-17(14-8-4-2-5-9-14)12-16(20)13-18(19)15-10-6-3-7-11-15/h2-11,17-18H,12-13H2,1H3/t17-,18+
InChIKeyUICNNPDZLGFJRO-HDICACEKSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-1-methyl-2,6-diphenylpiperidin-4-one?
The IUPAC name of (2R,6S)-1-methyl-2,6-diphenylpiperidin-4-one (CID 721014) is (2R,6S)-1-methyl-2,6-diphenylpiperidin-4-one.
What is the SMILES notation for (2R,6S)-1-methyl-2,6-diphenylpiperidin-4-one?
The canonical SMILES for (2R,6S)-1-methyl-2,6-diphenylpiperidin-4-one is CN1[C@@H](c2ccccc2)CC(=O)C[C@H]1c1ccccc1.
What is the InChIKey of (2R,6S)-1-methyl-2,6-diphenylpiperidin-4-one?
The InChIKey is UICNNPDZLGFJRO-HDICACEKSA-N. The full InChI is InChI=1S/C18H19NO/c1-19-17(14-8-4-2-5-9-14)12-16(20)13-18(19)15-10-6-3-7-11-15/h2-11,17-18H,12-13H2,1H3/t17-,18+.
What are the key properties of (2R,6S)-1-methyl-2,6-diphenylpiperidin-4-one?
(2R,6S)-1-methyl-2,6-diphenylpiperidin-4-one has a molecular weight of 265.36 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-1-methyl-2,6-diphenylpiperidin-4-one is sourced from PubChem (CID 721014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).