1-(4-bromophenyl)-2-(2-propylpiperidin-1-yl)propan-1-one

C17H24BrNO — CID 83055660

IUPAC1-(4-bromophenyl)-2-(2-propylpiperidin-1-yl)propan-1-one
SMILESCCCC1CCCCN1C(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H24BrNO/c1-3-6-16-7-4-5-12-19(16)13(2)17(20)14-8-10-15(18)11-9-14/h8-11,13,16H,3-7,12H2,1-2H3
InChIKeyHLUWQQHEOMCOOX-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.67
Rot. Bonds5

About 1-(4-bromophenyl)-2-(2-propylpiperidin-1-yl)propan-1-one

1-(4-bromophenyl)-2-(2-propylpiperidin-1-yl)propan-1-one (PubChem CID 83055660) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2-propylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2-propylpiperidin-1-yl)propan-1-one
PubChem CID83055660
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name1-(4-bromophenyl)-2-(2-propylpiperidin-1-yl)propan-1-one
SMILESCCCC1CCCCN1C(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H24BrNO/c1-3-6-16-7-4-5-12-19(16)13(2)17(20)14-8-10-15(18)11-9-14/h8-11,13,16H,3-7,12H2,1-2H3
InChIKeyHLUWQQHEOMCOOX-UHFFFAOYSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one
CID 83055659
1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 62053303
2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 43227547
2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 104690703
1-(4-bromophenyl)-2-(2-methylpyrrolidin-1-yl)propan-1-one
CID 54882483
1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62037342
2-(2-propylpiperidin-1-yl)pentan-3-one
CID 83056378
2-[2-(hydroxymethyl)azepan-1-yl]-1-phenylpropan-1-one
CID 116635361
1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62469380
1-(4-bromophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107228009
1-[(1R)-1-phenylethyl]-2-propylpiperidine
CID 118395761
3-(2-propylpiperidin-1-yl)butanoic acid
CID 83055410

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2-propylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-2-(2-propylpiperidin-1-yl)propan-1-one (CID 83055660) is 1-(4-bromophenyl)-2-(2-propylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2-propylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-2-(2-propylpiperidin-1-yl)propan-1-one is CCCC1CCCCN1C(C)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2-propylpiperidin-1-yl)propan-1-one?
The InChIKey is HLUWQQHEOMCOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-3-6-16-7-4-5-12-19(16)13(2)17(20)14-8-10-15(18)11-9-14/h8-11,13,16H,3-7,12H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2-(2-propylpiperidin-1-yl)propan-1-one?
1-(4-bromophenyl)-2-(2-propylpiperidin-1-yl)propan-1-one has a molecular weight of 338.29 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(2-propylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 83055660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).