1-[2-(4-bromophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

C16H22BrNO — CID 84606143

IUPAC1-[2-(4-bromophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCCC1c1ccc(Br)cc1
InChIInChI=1S/C16H22BrNO/c1-16(2,3)15(19)18-11-5-4-6-14(18)12-7-9-13(17)10-8-12/h7-10,14H,4-6,11H2,1-3H3
InChIKeyWFBGEJULFLNFDR-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.55
Rot. Bonds1

About 1-[2-(4-bromophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[2-(4-bromophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 84606143) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID84606143
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name1-[2-(4-bromophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCCC1c1ccc(Br)cc1
InChIInChI=1S/C16H22BrNO/c1-16(2,3)15(19)18-11-5-4-6-14(18)12-7-9-13(17)10-8-12/h7-10,14H,4-6,11H2,1-3H3
InChIKeyWFBGEJULFLNFDR-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tert-butyl (2R)-2-(4-bromophenyl)pyrrolidine-1-carboxylate
CID 67158206
bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone
CID 175308107
2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one
CID 92551768
2,2-dimethyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
CID 64591656
1-[2-(4-bromophenyl)-4-(4-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 68936992
1-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 84515128
[2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119299881
1-[2-(4-bromophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 68940228
[2-(4-bromophenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 119299890
2-(4-methylphenyl)piperidine-1-carboxylic acid
CID 142773311
1-[2-(4-methylphenyl)piperidin-1-yl]ethanone
CID 127352065
2,2-dimethyl-1-[(2R)-2-pyrazin-2-ylpiperidin-1-yl]propan-1-one
CID 95843127

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-(4-bromophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 84606143) is 1-[2-(4-bromophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-(4-bromophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-(4-bromophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCCCC1c1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is WFBGEJULFLNFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-16(2,3)15(19)18-11-5-4-6-14(18)12-7-9-13(17)10-8-12/h7-10,14H,4-6,11H2,1-3H3.
What are the key properties of 1-[2-(4-bromophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[2-(4-bromophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 324.26 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 84606143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).