2,6-bis(4-bromophenyl)-3-phenylpiperidin-4-one

C23H19Br2NO — CID 3079036

IUPAC2,6-bis(4-bromophenyl)-3-phenylpiperidin-4-one
SMILESO=C1CC(c2ccc(Br)cc2)NC(c2ccc(Br)cc2)C1c1ccccc1
InChIInChI=1S/C23H19Br2NO/c24-18-10-6-15(7-11-18)20-14-21(27)22(16-4-2-1-3-5-16)23(26-20)17-8-12-19(25)13-9-17/h1-13,20,22-23,26H,14H2
InChIKeyGWXVHIWWZSJFAP-UHFFFAOYSA-N
MW485.22 g/mol
LogP6.34
Rot. Bonds3

About 2,6-bis(4-bromophenyl)-3-phenylpiperidin-4-one

2,6-bis(4-bromophenyl)-3-phenylpiperidin-4-one (PubChem CID 3079036) has the molecular formula C23H19Br2NO and a molecular weight of 485.22 g/mol. Its IUPAC name is 2,6-bis(4-bromophenyl)-3-phenylpiperidin-4-one.

Molecular Properties

Compound Name2,6-bis(4-bromophenyl)-3-phenylpiperidin-4-one
PubChem CID3079036
Molecular FormulaC23H19Br2NO
Molecular Weight485.22 g/mol
Exact Mass482.98
IUPAC Name2,6-bis(4-bromophenyl)-3-phenylpiperidin-4-one
SMILESO=C1CC(c2ccc(Br)cc2)NC(c2ccc(Br)cc2)C1c1ccccc1
InChIInChI=1S/C23H19Br2NO/c24-18-10-6-15(7-11-18)20-14-21(27)22(16-4-2-1-3-5-16)23(26-20)17-8-12-19(25)13-9-17/h1-13,20,22-23,26H,14H2
InChIKeyGWXVHIWWZSJFAP-UHFFFAOYSA-N
XLogP6.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.22
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-bromophenyl)-3-phenylpiperidin-4-one?
The IUPAC name of 2,6-bis(4-bromophenyl)-3-phenylpiperidin-4-one (CID 3079036) is 2,6-bis(4-bromophenyl)-3-phenylpiperidin-4-one.
What is the SMILES notation for 2,6-bis(4-bromophenyl)-3-phenylpiperidin-4-one?
The canonical SMILES for 2,6-bis(4-bromophenyl)-3-phenylpiperidin-4-one is O=C1CC(c2ccc(Br)cc2)NC(c2ccc(Br)cc2)C1c1ccccc1.
What is the InChIKey of 2,6-bis(4-bromophenyl)-3-phenylpiperidin-4-one?
The InChIKey is GWXVHIWWZSJFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Br2NO/c24-18-10-6-15(7-11-18)20-14-21(27)22(16-4-2-1-3-5-16)23(26-20)17-8-12-19(25)13-9-17/h1-13,20,22-23,26H,14H2.
What are the key properties of 2,6-bis(4-bromophenyl)-3-phenylpiperidin-4-one?
2,6-bis(4-bromophenyl)-3-phenylpiperidin-4-one has a molecular weight of 485.22 g/mol, XLogP of 6.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-bromophenyl)-3-phenylpiperidin-4-one is sourced from PubChem (CID 3079036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).