1-(3-bromo-5-methoxyphenyl)piperidin-4-one

C12H14BrNO2 — CID 82867907

IUPAC1-(3-bromo-5-methoxyphenyl)piperidin-4-one
SMILESCOc1cc(Br)cc(N2CCC(=O)CC2)c1
InChIInChI=1S/C12H14BrNO2/c1-16-12-7-9(13)6-10(8-12)14-4-2-11(15)3-5-14/h6-8H,2-5H2,1H3
InChIKeyDOWVLPHMZAPPTR-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.63
Rot. Bonds2

About 1-(3-bromo-5-methoxyphenyl)piperidin-4-one

1-(3-bromo-5-methoxyphenyl)piperidin-4-one (PubChem CID 82867907) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 1-(3-bromo-5-methoxyphenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-bromo-5-methoxyphenyl)piperidin-4-one
PubChem CID82867907
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name1-(3-bromo-5-methoxyphenyl)piperidin-4-one
SMILESCOc1cc(Br)cc(N2CCC(=O)CC2)c1
InChIInChI=1S/C12H14BrNO2/c1-16-12-7-9(13)6-10(8-12)14-4-2-11(15)3-5-14/h6-8H,2-5H2,1H3
InChIKeyDOWVLPHMZAPPTR-UHFFFAOYSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methoxyphenyl)piperidin-4-one?
The IUPAC name of 1-(3-bromo-5-methoxyphenyl)piperidin-4-one (CID 82867907) is 1-(3-bromo-5-methoxyphenyl)piperidin-4-one.
What is the SMILES notation for 1-(3-bromo-5-methoxyphenyl)piperidin-4-one?
The canonical SMILES for 1-(3-bromo-5-methoxyphenyl)piperidin-4-one is COc1cc(Br)cc(N2CCC(=O)CC2)c1.
What is the InChIKey of 1-(3-bromo-5-methoxyphenyl)piperidin-4-one?
The InChIKey is DOWVLPHMZAPPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-16-12-7-9(13)6-10(8-12)14-4-2-11(15)3-5-14/h6-8H,2-5H2,1H3.
What are the key properties of 1-(3-bromo-5-methoxyphenyl)piperidin-4-one?
1-(3-bromo-5-methoxyphenyl)piperidin-4-one has a molecular weight of 284.15 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methoxyphenyl)piperidin-4-one is sourced from PubChem (CID 82867907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).