(2S,3R,6R)-2,6-bis(4-methylphenyl)-3-phenylpiperidin-4-one

C25H25NO — CID 56666519

IUPAC(2S,3R,6R)-2,6-bis(4-methylphenyl)-3-phenylpiperidin-4-one
SMILESCc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)CC(=O)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C25H25NO/c1-17-8-12-19(13-9-17)22-16-23(27)24(20-6-4-3-5-7-20)25(26-22)21-14-10-18(2)11-15-21/h3-15,22,24-26H,16H2,1-2H3/t22-,24+,25-/m1/s1
InChIKeyZABOJZHUEDETAG-PZUNEJSGSA-N
MW355.48 g/mol
LogP5.43
Rot. Bonds3

About (2S,3R,6R)-2,6-bis(4-methylphenyl)-3-phenylpiperidin-4-one

(2S,3R,6R)-2,6-bis(4-methylphenyl)-3-phenylpiperidin-4-one (PubChem CID 56666519) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is (2S,3R,6R)-2,6-bis(4-methylphenyl)-3-phenylpiperidin-4-one.

Molecular Properties

Compound Name(2S,3R,6R)-2,6-bis(4-methylphenyl)-3-phenylpiperidin-4-one
PubChem CID56666519
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name(2S,3R,6R)-2,6-bis(4-methylphenyl)-3-phenylpiperidin-4-one
SMILESCc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)CC(=O)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C25H25NO/c1-17-8-12-19(13-9-17)22-16-23(27)24(20-6-4-3-5-7-20)25(26-22)21-14-10-18(2)11-15-21/h3-15,22,24-26H,16H2,1-2H3/t22-,24+,25-/m1/s1
InChIKeyZABOJZHUEDETAG-PZUNEJSGSA-N
XLogP5.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,6R)-2,6-bis(4-methylphenyl)-3-phenylpiperidin-4-one?
The IUPAC name of (2S,3R,6R)-2,6-bis(4-methylphenyl)-3-phenylpiperidin-4-one (CID 56666519) is (2S,3R,6R)-2,6-bis(4-methylphenyl)-3-phenylpiperidin-4-one.
What is the SMILES notation for (2S,3R,6R)-2,6-bis(4-methylphenyl)-3-phenylpiperidin-4-one?
The canonical SMILES for (2S,3R,6R)-2,6-bis(4-methylphenyl)-3-phenylpiperidin-4-one is Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)CC(=O)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2S,3R,6R)-2,6-bis(4-methylphenyl)-3-phenylpiperidin-4-one?
The InChIKey is ZABOJZHUEDETAG-PZUNEJSGSA-N. The full InChI is InChI=1S/C25H25NO/c1-17-8-12-19(13-9-17)22-16-23(27)24(20-6-4-3-5-7-20)25(26-22)21-14-10-18(2)11-15-21/h3-15,22,24-26H,16H2,1-2H3/t22-,24+,25-/m1/s1.
What are the key properties of (2S,3R,6R)-2,6-bis(4-methylphenyl)-3-phenylpiperidin-4-one?
(2S,3R,6R)-2,6-bis(4-methylphenyl)-3-phenylpiperidin-4-one has a molecular weight of 355.48 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6R)-2,6-bis(4-methylphenyl)-3-phenylpiperidin-4-one is sourced from PubChem (CID 56666519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).