1-(4-bromophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanone

C15H20BrNO — CID 55039891

IUPAC1-(4-bromophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCN(CC(=O)c2ccc(Br)cc2)C1C
InChIInChI=1S/C15H20BrNO/c1-11-4-3-9-17(12(11)2)10-15(18)13-5-7-14(16)8-6-13/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyKCMVIRHSNYJHTB-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.75
Rot. Bonds3

About 1-(4-bromophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanone

1-(4-bromophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanone (PubChem CID 55039891) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanone
PubChem CID55039891
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name1-(4-bromophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCN(CC(=O)c2ccc(Br)cc2)C1C
InChIInChI=1S/C15H20BrNO/c1-11-4-3-9-17(12(11)2)10-15(18)13-5-7-14(16)8-6-13/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyKCMVIRHSNYJHTB-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethylpiperidin-1-yl)-1-(4-ethoxyphenyl)ethanone
CID 62123584
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(4-bromophenyl)ethanone
CID 43228898
1-(4-bromophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114594153
2-(2,3-dimethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 55039892
1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62123229
1-(4-bromophenyl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960713
N-(4-carbamothioylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide
CID 62125001
1-(4-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228420
1-(4-bromophenyl)-4-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 54885784
3-[(2,3-dimethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid
CID 63067272
1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-one
CID 63483558
1-[2-(4-methylphenyl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 16770156

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanone (CID 55039891) is 1-(4-bromophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanone is CC1CCCN(CC(=O)c2ccc(Br)cc2)C1C.
What is the InChIKey of 1-(4-bromophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanone?
The InChIKey is KCMVIRHSNYJHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-11-4-3-9-17(12(11)2)10-15(18)13-5-7-14(16)8-6-13/h5-8,11-12H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanone?
1-(4-bromophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanone has a molecular weight of 310.23 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 55039891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).