1-(2,4-dibromo-5-methoxyphenyl)piperidin-4-one

C12H13Br2NO2 — CID 103414426

IUPAC1-(2,4-dibromo-5-methoxyphenyl)piperidin-4-one
SMILESCOc1cc(N2CCC(=O)CC2)c(Br)cc1Br
InChIInChI=1S/C12H13Br2NO2/c1-17-12-7-11(9(13)6-10(12)14)15-4-2-8(16)3-5-15/h6-7H,2-5H2,1H3
InChIKeyRQOKVAADNLJZMW-UHFFFAOYSA-N
MW363.05 g/mol
LogP3.39
Rot. Bonds2

About 1-(2,4-dibromo-5-methoxyphenyl)piperidin-4-one

1-(2,4-dibromo-5-methoxyphenyl)piperidin-4-one (PubChem CID 103414426) has the molecular formula C12H13Br2NO2 and a molecular weight of 363.05 g/mol. Its IUPAC name is 1-(2,4-dibromo-5-methoxyphenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2,4-dibromo-5-methoxyphenyl)piperidin-4-one
PubChem CID103414426
Molecular FormulaC12H13Br2NO2
Molecular Weight363.05 g/mol
Exact Mass360.93
IUPAC Name1-(2,4-dibromo-5-methoxyphenyl)piperidin-4-one
SMILESCOc1cc(N2CCC(=O)CC2)c(Br)cc1Br
InChIInChI=1S/C12H13Br2NO2/c1-17-12-7-11(9(13)6-10(12)14)15-4-2-8(16)3-5-15/h6-7H,2-5H2,1H3
InChIKeyRQOKVAADNLJZMW-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.05
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromo-5-methoxyphenyl)piperidin-4-one?
The IUPAC name of 1-(2,4-dibromo-5-methoxyphenyl)piperidin-4-one (CID 103414426) is 1-(2,4-dibromo-5-methoxyphenyl)piperidin-4-one.
What is the SMILES notation for 1-(2,4-dibromo-5-methoxyphenyl)piperidin-4-one?
The canonical SMILES for 1-(2,4-dibromo-5-methoxyphenyl)piperidin-4-one is COc1cc(N2CCC(=O)CC2)c(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromo-5-methoxyphenyl)piperidin-4-one?
The InChIKey is RQOKVAADNLJZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NO2/c1-17-12-7-11(9(13)6-10(12)14)15-4-2-8(16)3-5-15/h6-7H,2-5H2,1H3.
What are the key properties of 1-(2,4-dibromo-5-methoxyphenyl)piperidin-4-one?
1-(2,4-dibromo-5-methoxyphenyl)piperidin-4-one has a molecular weight of 363.05 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromo-5-methoxyphenyl)piperidin-4-one is sourced from PubChem (CID 103414426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).