2,6-bis(3-bromophenyl)-3,5-dimethylpiperidin-4-one

C19H19Br2NO — CID 2870130

IUPAC2,6-bis(3-bromophenyl)-3,5-dimethylpiperidin-4-one
SMILESCC1C(=O)C(C)C(c2cccc(Br)c2)NC1c1cccc(Br)c1
InChIInChI=1S/C19H19Br2NO/c1-11-17(13-5-3-7-15(20)9-13)22-18(12(2)19(11)23)14-6-4-8-16(21)10-14/h3-12,17-18,22H,1-2H3
InChIKeyQLAGUGWBFPPFDV-UHFFFAOYSA-N
MW437.18 g/mol
LogP5.44
Rot. Bonds2

About 2,6-bis(3-bromophenyl)-3,5-dimethylpiperidin-4-one

2,6-bis(3-bromophenyl)-3,5-dimethylpiperidin-4-one (PubChem CID 2870130) has the molecular formula C19H19Br2NO and a molecular weight of 437.18 g/mol. Its IUPAC name is 2,6-bis(3-bromophenyl)-3,5-dimethylpiperidin-4-one.

Molecular Properties

Compound Name2,6-bis(3-bromophenyl)-3,5-dimethylpiperidin-4-one
PubChem CID2870130
Molecular FormulaC19H19Br2NO
Molecular Weight437.18 g/mol
Exact Mass434.98
IUPAC Name2,6-bis(3-bromophenyl)-3,5-dimethylpiperidin-4-one
SMILESCC1C(=O)C(C)C(c2cccc(Br)c2)NC1c1cccc(Br)c1
InChIInChI=1S/C19H19Br2NO/c1-11-17(13-5-3-7-15(20)9-13)22-18(12(2)19(11)23)14-6-4-8-16(21)10-14/h3-12,17-18,22H,1-2H3
InChIKeyQLAGUGWBFPPFDV-UHFFFAOYSA-N
XLogP5.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.18
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-bromophenyl)-3,5-dimethylpiperidin-4-one?
The IUPAC name of 2,6-bis(3-bromophenyl)-3,5-dimethylpiperidin-4-one (CID 2870130) is 2,6-bis(3-bromophenyl)-3,5-dimethylpiperidin-4-one.
What is the SMILES notation for 2,6-bis(3-bromophenyl)-3,5-dimethylpiperidin-4-one?
The canonical SMILES for 2,6-bis(3-bromophenyl)-3,5-dimethylpiperidin-4-one is CC1C(=O)C(C)C(c2cccc(Br)c2)NC1c1cccc(Br)c1.
What is the InChIKey of 2,6-bis(3-bromophenyl)-3,5-dimethylpiperidin-4-one?
The InChIKey is QLAGUGWBFPPFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Br2NO/c1-11-17(13-5-3-7-15(20)9-13)22-18(12(2)19(11)23)14-6-4-8-16(21)10-14/h3-12,17-18,22H,1-2H3.
What are the key properties of 2,6-bis(3-bromophenyl)-3,5-dimethylpiperidin-4-one?
2,6-bis(3-bromophenyl)-3,5-dimethylpiperidin-4-one has a molecular weight of 437.18 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3-bromophenyl)-3,5-dimethylpiperidin-4-one is sourced from PubChem (CID 2870130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).