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

C23H19Cl2NO — CID 56669929

IUPAC(2S,3R,6R)-2,6-bis(2-chlorophenyl)-3-phenylpiperidin-4-one
SMILESO=C1C[C@H](c2ccccc2Cl)N[C@H](c2ccccc2Cl)[C@H]1c1ccccc1
InChIInChI=1S/C23H19Cl2NO/c24-18-12-6-4-10-16(18)20-14-21(27)22(15-8-2-1-3-9-15)23(26-20)17-11-5-7-13-19(17)25/h1-13,20,22-23,26H,14H2/t20-,22+,23-/m1/s1
InChIKeyGWJJGMOJSVFXKN-AKIFATBCSA-N
MW396.32 g/mol
LogP6.12
Rot. Bonds3

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

(2S,3R,6R)-2,6-bis(2-chlorophenyl)-3-phenylpiperidin-4-one (PubChem CID 56669929) has the molecular formula C23H19Cl2NO and a molecular weight of 396.32 g/mol. Its IUPAC name is (2S,3R,6R)-2,6-bis(2-chlorophenyl)-3-phenylpiperidin-4-one.

Molecular Properties

Compound Name(2S,3R,6R)-2,6-bis(2-chlorophenyl)-3-phenylpiperidin-4-one
PubChem CID56669929
Molecular FormulaC23H19Cl2NO
Molecular Weight396.32 g/mol
Exact Mass395.08
IUPAC Name(2S,3R,6R)-2,6-bis(2-chlorophenyl)-3-phenylpiperidin-4-one
SMILESO=C1C[C@H](c2ccccc2Cl)N[C@H](c2ccccc2Cl)[C@H]1c1ccccc1
InChIInChI=1S/C23H19Cl2NO/c24-18-12-6-4-10-16(18)20-14-21(27)22(15-8-2-1-3-9-15)23(26-20)17-11-5-7-13-19(17)25/h1-13,20,22-23,26H,14H2/t20-,22+,23-/m1/s1
InChIKeyGWJJGMOJSVFXKN-AKIFATBCSA-N
XLogP6.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.32
LogP ≤ 56.12
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(2-chlorophenyl)-3-phenylpiperidin-4-one?
The IUPAC name of (2S,3R,6R)-2,6-bis(2-chlorophenyl)-3-phenylpiperidin-4-one (CID 56669929) is (2S,3R,6R)-2,6-bis(2-chlorophenyl)-3-phenylpiperidin-4-one.
What is the SMILES notation for (2S,3R,6R)-2,6-bis(2-chlorophenyl)-3-phenylpiperidin-4-one?
The canonical SMILES for (2S,3R,6R)-2,6-bis(2-chlorophenyl)-3-phenylpiperidin-4-one is O=C1C[C@H](c2ccccc2Cl)N[C@H](c2ccccc2Cl)[C@H]1c1ccccc1.
What is the InChIKey of (2S,3R,6R)-2,6-bis(2-chlorophenyl)-3-phenylpiperidin-4-one?
The InChIKey is GWJJGMOJSVFXKN-AKIFATBCSA-N. The full InChI is InChI=1S/C23H19Cl2NO/c24-18-12-6-4-10-16(18)20-14-21(27)22(15-8-2-1-3-9-15)23(26-20)17-11-5-7-13-19(17)25/h1-13,20,22-23,26H,14H2/t20-,22+,23-/m1/s1.
What are the key properties of (2S,3R,6R)-2,6-bis(2-chlorophenyl)-3-phenylpiperidin-4-one?
(2S,3R,6R)-2,6-bis(2-chlorophenyl)-3-phenylpiperidin-4-one has a molecular weight of 396.32 g/mol, XLogP of 6.12, 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(2-chlorophenyl)-3-phenylpiperidin-4-one is sourced from PubChem (CID 56669929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).