4,6-bis(4-bromophenyl)piperidin-2-one

C17H15Br2NO — CID 71303235

IUPAC4,6-bis(4-bromophenyl)piperidin-2-one
SMILESO=C1CC(c2ccc(Br)cc2)CC(c2ccc(Br)cc2)N1
InChIInChI=1S/C17H15Br2NO/c18-14-5-1-11(2-6-14)13-9-16(20-17(21)10-13)12-3-7-15(19)8-4-12/h1-8,13,16H,9-10H2,(H,20,21)
InChIKeyVNHOIJIBKDWVMA-UHFFFAOYSA-N
MW409.12 g/mol
LogP4.95
Rot. Bonds2

About 4,6-bis(4-bromophenyl)piperidin-2-one

4,6-bis(4-bromophenyl)piperidin-2-one (PubChem CID 71303235) has the molecular formula C17H15Br2NO and a molecular weight of 409.12 g/mol. Its IUPAC name is 4,6-bis(4-bromophenyl)piperidin-2-one.

Molecular Properties

Compound Name4,6-bis(4-bromophenyl)piperidin-2-one
PubChem CID71303235
Molecular FormulaC17H15Br2NO
Molecular Weight409.12 g/mol
Exact Mass406.95
IUPAC Name4,6-bis(4-bromophenyl)piperidin-2-one
SMILESO=C1CC(c2ccc(Br)cc2)CC(c2ccc(Br)cc2)N1
InChIInChI=1S/C17H15Br2NO/c18-14-5-1-11(2-6-14)13-9-16(20-17(21)10-13)12-3-7-15(19)8-4-12/h1-8,13,16H,9-10H2,(H,20,21)
InChIKeyVNHOIJIBKDWVMA-UHFFFAOYSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.12
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide
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CID 67311120
4-(4-bromophenyl)piperidine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-bromophenyl)piperidin-2-one?
The IUPAC name of 4,6-bis(4-bromophenyl)piperidin-2-one (CID 71303235) is 4,6-bis(4-bromophenyl)piperidin-2-one.
What is the SMILES notation for 4,6-bis(4-bromophenyl)piperidin-2-one?
The canonical SMILES for 4,6-bis(4-bromophenyl)piperidin-2-one is O=C1CC(c2ccc(Br)cc2)CC(c2ccc(Br)cc2)N1.
What is the InChIKey of 4,6-bis(4-bromophenyl)piperidin-2-one?
The InChIKey is VNHOIJIBKDWVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2NO/c18-14-5-1-11(2-6-14)13-9-16(20-17(21)10-13)12-3-7-15(19)8-4-12/h1-8,13,16H,9-10H2,(H,20,21).
What are the key properties of 4,6-bis(4-bromophenyl)piperidin-2-one?
4,6-bis(4-bromophenyl)piperidin-2-one has a molecular weight of 409.12 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-bromophenyl)piperidin-2-one is sourced from PubChem (CID 71303235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).