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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Related Compounds

1-(2,4-dibromo-5-methoxyphenyl)-N-methylpiperidin-4-amine
CID 103414445
1-(2,5-difluoro-4-methoxyphenyl)piperidin-4-one
CID 23111466
methyl 5-bromo-4-methoxy-2-pyrrolidin-1-ylbenzoate
CID 168513275
1-(4-bromo-2-chloro-5-methoxyphenyl)pyrrolidine
CID 168512756
1-(4-bromo-2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 15154182
1-(4-chloro-2-methoxy-5-methylphenyl)piperidin-4-one
CID 24692834
1-(2,4-dibromo-5-methoxyphenyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 103417059
1-(2-bromo-5-methoxy-4-nitrophenyl)pyrrolidine
CID 169490477
1-(2,4-dibromo-5-methoxyphenyl)-N-ethylpyrrolidin-3-amine
CID 103414484
1-(2,4-dibromo-5-methoxyphenyl)-N,3-dimethylpiperidin-4-amine
CID 103414479
4-(2-bromo-5-methoxy-4-nitrosophenyl)morpholine
CID 167231314
1-(2,4-dibromo-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696507

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).