1-(5-bromo-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one

C17H23BrFNO — CID 79060051

IUPAC1-(5-bromo-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one
SMILESCCC(C)(C(=O)Cc1cc(Br)ccc1F)N1CCCCC1
InChIInChI=1S/C17H23BrFNO/c1-3-17(2,20-9-5-4-6-10-20)16(21)12-13-11-14(18)7-8-15(13)19/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyWNVINXMRKLLRGE-UHFFFAOYSA-N
MW356.28 g/mol
LogP4.35
Rot. Bonds5

About 1-(5-bromo-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one

1-(5-bromo-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one (PubChem CID 79060051) has the molecular formula C17H23BrFNO and a molecular weight of 356.28 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one
PubChem CID79060051
Molecular FormulaC17H23BrFNO
Molecular Weight356.28 g/mol
Exact Mass355.09
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one
SMILESCCC(C)(C(=O)Cc1cc(Br)ccc1F)N1CCCCC1
InChIInChI=1S/C17H23BrFNO/c1-3-17(2,20-9-5-4-6-10-20)16(21)12-13-11-14(18)7-8-15(13)19/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyWNVINXMRKLLRGE-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-one
CID 79069321
1-(5-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one
CID 79045725
1-(2-chlorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-one
CID 79068763
1-(5-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one
CID 79063310
1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 79065201
1-(5-bromo-2-fluorophenyl)-3-tert-butylsulfanylpropan-2-one
CID 65133139
2-(5-bromo-2-fluorophenyl)-1-cyclooctylethanone
CID 80602139
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051250
2-(5-bromo-2-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanone
CID 79066408
1-(2,5-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-one
CID 79057317
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
1-(2-chloro-5-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 105394302

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one (CID 79060051) is 1-(5-bromo-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one is CCC(C)(C(=O)Cc1cc(Br)ccc1F)N1CCCCC1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one?
The InChIKey is WNVINXMRKLLRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrFNO/c1-3-17(2,20-9-5-4-6-10-20)16(21)12-13-11-14(18)7-8-15(13)19/h7-8,11H,3-6,9-10,12H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one?
1-(5-bromo-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one has a molecular weight of 356.28 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one is sourced from PubChem (CID 79060051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).