6-(4-bromophenyl)piperidin-2-one

C11H12BrNO — CID 18421622

IUPAC6-(4-bromophenyl)piperidin-2-one
SMILESO=C1CCCC(c2ccc(Br)cc2)N1
InChIInChI=1S/C11H12BrNO/c12-9-6-4-8(5-7-9)10-2-1-3-11(14)13-10/h4-7,10H,1-3H2,(H,13,14)
InChIKeySFPGNDANMWJZEN-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.79
Rot. Bonds1

About 6-(4-bromophenyl)piperidin-2-one

6-(4-bromophenyl)piperidin-2-one (PubChem CID 18421622) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 6-(4-bromophenyl)piperidin-2-one.

Molecular Properties

Compound Name6-(4-bromophenyl)piperidin-2-one
PubChem CID18421622
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name6-(4-bromophenyl)piperidin-2-one
SMILESO=C1CCCC(c2ccc(Br)cc2)N1
InChIInChI=1S/C11H12BrNO/c12-9-6-4-8(5-7-9)10-2-1-3-11(14)13-10/h4-7,10H,1-3H2,(H,13,14)
InChIKeySFPGNDANMWJZEN-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)piperidin-2-one?
The IUPAC name of 6-(4-bromophenyl)piperidin-2-one (CID 18421622) is 6-(4-bromophenyl)piperidin-2-one.
What is the SMILES notation for 6-(4-bromophenyl)piperidin-2-one?
The canonical SMILES for 6-(4-bromophenyl)piperidin-2-one is O=C1CCCC(c2ccc(Br)cc2)N1.
What is the InChIKey of 6-(4-bromophenyl)piperidin-2-one?
The InChIKey is SFPGNDANMWJZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-9-6-4-8(5-7-9)10-2-1-3-11(14)13-10/h4-7,10H,1-3H2,(H,13,14).
What are the key properties of 6-(4-bromophenyl)piperidin-2-one?
6-(4-bromophenyl)piperidin-2-one has a molecular weight of 254.13 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)piperidin-2-one is sourced from PubChem (CID 18421622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).