(2S,6R)-2,6-diphenyl-1-prop-2-enylpiperidin-4-one

C20H21NO — CID 71460473

IUPAC(2S,6R)-2,6-diphenyl-1-prop-2-enylpiperidin-4-one
SMILESC=CCN1[C@@H](c2ccccc2)CC(=O)C[C@H]1c1ccccc1
InChIInChI=1S/C20H21NO/c1-2-13-21-19(16-9-5-3-6-10-16)14-18(22)15-20(21)17-11-7-4-8-12-17/h2-12,19-20H,1,13-15H2/t19-,20+
InChIKeyZKQFGVRAOKOGKT-BGYRXZFFSA-N
MW291.39 g/mol
LogP4.32
Rot. Bonds4

About (2S,6R)-2,6-diphenyl-1-prop-2-enylpiperidin-4-one

(2S,6R)-2,6-diphenyl-1-prop-2-enylpiperidin-4-one (PubChem CID 71460473) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is (2S,6R)-2,6-diphenyl-1-prop-2-enylpiperidin-4-one.

Molecular Properties

Compound Name(2S,6R)-2,6-diphenyl-1-prop-2-enylpiperidin-4-one
PubChem CID71460473
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name(2S,6R)-2,6-diphenyl-1-prop-2-enylpiperidin-4-one
SMILESC=CCN1[C@@H](c2ccccc2)CC(=O)C[C@H]1c1ccccc1
InChIInChI=1S/C20H21NO/c1-2-13-21-19(16-9-5-3-6-10-16)14-18(22)15-20(21)17-11-7-4-8-12-17/h2-12,19-20H,1,13-15H2/t19-,20+
InChIKeyZKQFGVRAOKOGKT-BGYRXZFFSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-diphenyl-1-prop-2-enylpiperidin-4-one?
The IUPAC name of (2S,6R)-2,6-diphenyl-1-prop-2-enylpiperidin-4-one (CID 71460473) is (2S,6R)-2,6-diphenyl-1-prop-2-enylpiperidin-4-one.
What is the SMILES notation for (2S,6R)-2,6-diphenyl-1-prop-2-enylpiperidin-4-one?
The canonical SMILES for (2S,6R)-2,6-diphenyl-1-prop-2-enylpiperidin-4-one is C=CCN1[C@@H](c2ccccc2)CC(=O)C[C@H]1c1ccccc1.
What is the InChIKey of (2S,6R)-2,6-diphenyl-1-prop-2-enylpiperidin-4-one?
The InChIKey is ZKQFGVRAOKOGKT-BGYRXZFFSA-N. The full InChI is InChI=1S/C20H21NO/c1-2-13-21-19(16-9-5-3-6-10-16)14-18(22)15-20(21)17-11-7-4-8-12-17/h2-12,19-20H,1,13-15H2/t19-,20+.
What are the key properties of (2S,6R)-2,6-diphenyl-1-prop-2-enylpiperidin-4-one?
(2S,6R)-2,6-diphenyl-1-prop-2-enylpiperidin-4-one has a molecular weight of 291.39 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-diphenyl-1-prop-2-enylpiperidin-4-one is sourced from PubChem (CID 71460473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).