1-(5-bromo-2-chlorophenyl)piperidin-4-one

C11H11BrClNO — CID 62915587

IUPAC1-(5-bromo-2-chlorophenyl)piperidin-4-one
SMILESO=C1CCN(c2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C11H11BrClNO/c12-8-1-2-10(13)11(7-8)14-5-3-9(15)4-6-14/h1-2,7H,3-6H2
InChIKeyKIPGEFTUUMHEOA-UHFFFAOYSA-N
MW288.57 g/mol
LogP3.27
Rot. Bonds1

About 1-(5-bromo-2-chlorophenyl)piperidin-4-one

1-(5-bromo-2-chlorophenyl)piperidin-4-one (PubChem CID 62915587) has the molecular formula C11H11BrClNO and a molecular weight of 288.57 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)piperidin-4-one
PubChem CID62915587
Molecular FormulaC11H11BrClNO
Molecular Weight288.57 g/mol
Exact Mass286.97
IUPAC Name1-(5-bromo-2-chlorophenyl)piperidin-4-one
SMILESO=C1CCN(c2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C11H11BrClNO/c12-8-1-2-10(13)11(7-8)14-5-3-9(15)4-6-14/h1-2,7H,3-6H2
InChIKeyKIPGEFTUUMHEOA-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.57
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Bromo-2-chlorophenyl)piperidine
CID 84713950
1-(4-Bromo-2-chlorophenyl)piperidine
CID 84713950
1-(3-Bromo-4-fluorophenyl)piperidin-4-one
CID 112705482
1-(3-Bromo-4-fluorophenyl)piperidin-4-one
CID 112705482
1-(2-Chloro-4-fluorophenyl)-3-fluoropiperidin-4-one
CID 118905161
1-(2-Chloro-4-fluorophenyl)-3-fluoropiperidin-4-one
CID 118905161
1-(2-Chloro-5-fluorophenyl)piperidin-4-one
CID 107528737
1-(2-Chloro-5-fluorophenyl)piperidin-4-one
CID 107528737
1-(2-Bromo-6-chloro-4-fluorophenyl)piperidin-4-one
CID 107612307
1-(2-Bromo-6-chloro-4-fluorophenyl)piperidin-4-one
CID 107612307
1-(2-Chloro-3-fluorophenyl)piperidin-4-one
CID 164645417
1-(2-Chloro-3-fluorophenyl)piperidin-4-one
CID 164645417

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)piperidin-4-one?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)piperidin-4-one (CID 62915587) is 1-(5-bromo-2-chlorophenyl)piperidin-4-one.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)piperidin-4-one?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)piperidin-4-one is O=C1CCN(c2cc(Br)ccc2Cl)CC1.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)piperidin-4-one?
The InChIKey is KIPGEFTUUMHEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO/c12-8-1-2-10(13)11(7-8)14-5-3-9(15)4-6-14/h1-2,7H,3-6H2.
What are the key properties of 1-(5-bromo-2-chlorophenyl)piperidin-4-one?
1-(5-bromo-2-chlorophenyl)piperidin-4-one has a molecular weight of 288.57 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)piperidin-4-one is sourced from PubChem (CID 62915587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).