(2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-diphenylpiperidin-4-one

C29H23F2NO — CID 56666521

IUPAC(2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-diphenylpiperidin-4-one
SMILESO=C1[C@H](c2ccccc2)[C@@H](c2ccc(F)cc2)N[C@@H](c2ccc(F)cc2)[C@@H]1c1ccccc1
InChIInChI=1S/C29H23F2NO/c30-23-15-11-21(12-16-23)27-25(19-7-3-1-4-8-19)29(33)26(20-9-5-2-6-10-20)28(32-27)22-13-17-24(31)18-14-22/h1-18,25-28,32H/t25-,26+,27-,28+
InChIKeyVLMKRUKQMWKUSC-KMKVIZFGSA-N
MW439.51 g/mol
LogP6.49
Rot. Bonds4

About (2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-diphenylpiperidin-4-one

(2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-diphenylpiperidin-4-one (PubChem CID 56666521) has the molecular formula C29H23F2NO and a molecular weight of 439.51 g/mol. Its IUPAC name is (2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-diphenylpiperidin-4-one.

Molecular Properties

Compound Name(2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-diphenylpiperidin-4-one
PubChem CID56666521
Molecular FormulaC29H23F2NO
Molecular Weight439.51 g/mol
Exact Mass439.17
IUPAC Name(2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-diphenylpiperidin-4-one
SMILESO=C1[C@H](c2ccccc2)[C@@H](c2ccc(F)cc2)N[C@@H](c2ccc(F)cc2)[C@@H]1c1ccccc1
InChIInChI=1S/C29H23F2NO/c30-23-15-11-21(12-16-23)27-25(19-7-3-1-4-8-19)29(33)26(20-9-5-2-6-10-20)28(32-27)22-13-17-24(31)18-14-22/h1-18,25-28,32H/t25-,26+,27-,28+
InChIKeyVLMKRUKQMWKUSC-KMKVIZFGSA-N
XLogP6.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.51
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-diphenylpiperidin-4-one?
The IUPAC name of (2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-diphenylpiperidin-4-one (CID 56666521) is (2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-diphenylpiperidin-4-one.
What is the SMILES notation for (2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-diphenylpiperidin-4-one?
The canonical SMILES for (2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-diphenylpiperidin-4-one is O=C1[C@H](c2ccccc2)[C@@H](c2ccc(F)cc2)N[C@@H](c2ccc(F)cc2)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-diphenylpiperidin-4-one?
The InChIKey is VLMKRUKQMWKUSC-KMKVIZFGSA-N. The full InChI is InChI=1S/C29H23F2NO/c30-23-15-11-21(12-16-23)27-25(19-7-3-1-4-8-19)29(33)26(20-9-5-2-6-10-20)28(32-27)22-13-17-24(31)18-14-22/h1-18,25-28,32H/t25-,26+,27-,28+.
What are the key properties of (2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-diphenylpiperidin-4-one?
(2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-diphenylpiperidin-4-one has a molecular weight of 439.51 g/mol, XLogP of 6.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-diphenylpiperidin-4-one is sourced from PubChem (CID 56666521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).