4-(2-bromophenyl)piperidin-2-one

C11H12BrNO — CID 117209344

IUPAC4-(2-bromophenyl)piperidin-2-one
SMILESO=C1CC(c2ccccc2Br)CCN1
InChIInChI=1S/C11H12BrNO/c12-10-4-2-1-3-9(10)8-5-6-13-11(14)7-8/h1-4,8H,5-7H2,(H,13,14)
InChIKeyWUXOKBQXJLPJSN-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.44
Rot. Bonds1

About 4-(2-bromophenyl)piperidin-2-one

4-(2-bromophenyl)piperidin-2-one (PubChem CID 117209344) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 4-(2-bromophenyl)piperidin-2-one.

Molecular Properties

Compound Name4-(2-bromophenyl)piperidin-2-one
PubChem CID117209344
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name4-(2-bromophenyl)piperidin-2-one
SMILESO=C1CC(c2ccccc2Br)CCN1
InChIInChI=1S/C11H12BrNO/c12-10-4-2-1-3-9(10)8-5-6-13-11(14)7-8/h1-4,8H,5-7H2,(H,13,14)
InChIKeyWUXOKBQXJLPJSN-UHFFFAOYSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)piperidin-2-one?
The IUPAC name of 4-(2-bromophenyl)piperidin-2-one (CID 117209344) is 4-(2-bromophenyl)piperidin-2-one.
What is the SMILES notation for 4-(2-bromophenyl)piperidin-2-one?
The canonical SMILES for 4-(2-bromophenyl)piperidin-2-one is O=C1CC(c2ccccc2Br)CCN1.
What is the InChIKey of 4-(2-bromophenyl)piperidin-2-one?
The InChIKey is WUXOKBQXJLPJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-10-4-2-1-3-9(10)8-5-6-13-11(14)7-8/h1-4,8H,5-7H2,(H,13,14).
What are the key properties of 4-(2-bromophenyl)piperidin-2-one?
4-(2-bromophenyl)piperidin-2-one has a molecular weight of 254.13 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)piperidin-2-one is sourced from PubChem (CID 117209344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).