1-(4-bromophenyl)-4,4-dimethylpiperidin-3-one

C13H16BrNO — CID 117025199

IUPAC1-(4-bromophenyl)-4,4-dimethylpiperidin-3-one
SMILESCC1(C)CCN(c2ccc(Br)cc2)CC1=O
InChIInChI=1S/C13H16BrNO/c1-13(2)7-8-15(9-12(13)16)11-5-3-10(14)4-6-11/h3-6H,7-9H2,1-2H3
InChIKeyNOOXEMUNDQECBA-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.25
Rot. Bonds1

About 1-(4-bromophenyl)-4,4-dimethylpiperidin-3-one

1-(4-bromophenyl)-4,4-dimethylpiperidin-3-one (PubChem CID 117025199) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4,4-dimethylpiperidin-3-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-4,4-dimethylpiperidin-3-one
PubChem CID117025199
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name1-(4-bromophenyl)-4,4-dimethylpiperidin-3-one
SMILESCC1(C)CCN(c2ccc(Br)cc2)CC1=O
InChIInChI=1S/C13H16BrNO/c1-13(2)7-8-15(9-12(13)16)11-5-3-10(14)4-6-11/h3-6H,7-9H2,1-2H3
InChIKeyNOOXEMUNDQECBA-UHFFFAOYSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4,4-dimethylpiperidin-3-one?
The IUPAC name of 1-(4-bromophenyl)-4,4-dimethylpiperidin-3-one (CID 117025199) is 1-(4-bromophenyl)-4,4-dimethylpiperidin-3-one.
What is the SMILES notation for 1-(4-bromophenyl)-4,4-dimethylpiperidin-3-one?
The canonical SMILES for 1-(4-bromophenyl)-4,4-dimethylpiperidin-3-one is CC1(C)CCN(c2ccc(Br)cc2)CC1=O.
What is the InChIKey of 1-(4-bromophenyl)-4,4-dimethylpiperidin-3-one?
The InChIKey is NOOXEMUNDQECBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-13(2)7-8-15(9-12(13)16)11-5-3-10(14)4-6-11/h3-6H,7-9H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-4,4-dimethylpiperidin-3-one?
1-(4-bromophenyl)-4,4-dimethylpiperidin-3-one has a molecular weight of 282.18 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4,4-dimethylpiperidin-3-one is sourced from PubChem (CID 117025199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).