1-(3-bromophenyl)-2-(6-methylpiperidin-2-yl)ethanone

C14H18BrNO — CID 116685102

IUPAC1-(3-bromophenyl)-2-(6-methylpiperidin-2-yl)ethanone
SMILESCC1CCCC(CC(=O)c2cccc(Br)c2)N1
InChIInChI=1S/C14H18BrNO/c1-10-4-2-7-13(16-10)9-14(17)11-5-3-6-12(15)8-11/h3,5-6,8,10,13,16H,2,4,7,9H2,1H3
InChIKeyLTVLWXQUXWIGOP-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.55
Rot. Bonds3

About 1-(3-bromophenyl)-2-(6-methylpiperidin-2-yl)ethanone

1-(3-bromophenyl)-2-(6-methylpiperidin-2-yl)ethanone (PubChem CID 116685102) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(6-methylpiperidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(6-methylpiperidin-2-yl)ethanone
PubChem CID116685102
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name1-(3-bromophenyl)-2-(6-methylpiperidin-2-yl)ethanone
SMILESCC1CCCC(CC(=O)c2cccc(Br)c2)N1
InChIInChI=1S/C14H18BrNO/c1-10-4-2-7-13(16-10)9-14(17)11-5-3-6-12(15)8-11/h3,5-6,8,10,13,16H,2,4,7,9H2,1H3
InChIKeyLTVLWXQUXWIGOP-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-cyclopentylethanone
CID 62620769
2-(6-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone
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CID 59710006
1-(3-bromophenyl)-2-(thian-4-yl)ethanone
CID 83136559
1-(3-bromophenyl)-2-cyclohexylsulfanylethanone
CID 60645355
1-(3-bromophenyl)-2-(3-methylcyclohexyl)sulfinylethanone
CID 64635308
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
1-(3-bromophenyl)-3-[cyclobutylmethyl(methyl)amino]propan-1-one
CID 62862239
1-(3-bromophenyl)-2-(3,3-difluorocyclohexyl)ethanone
CID 114224567
1-(3-bromophenyl)-2-(propylamino)ethanone
CID 82102333
1-(3-bromophenyl)butan-1-one
CID 18417701
1-(3-bromophenyl)-2-cyclopentylsulfinylethanone
CID 64639173

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(6-methylpiperidin-2-yl)ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-(6-methylpiperidin-2-yl)ethanone (CID 116685102) is 1-(3-bromophenyl)-2-(6-methylpiperidin-2-yl)ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-(6-methylpiperidin-2-yl)ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-(6-methylpiperidin-2-yl)ethanone is CC1CCCC(CC(=O)c2cccc(Br)c2)N1.
What is the InChIKey of 1-(3-bromophenyl)-2-(6-methylpiperidin-2-yl)ethanone?
The InChIKey is LTVLWXQUXWIGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10-4-2-7-13(16-10)9-14(17)11-5-3-6-12(15)8-11/h3,5-6,8,10,13,16H,2,4,7,9H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(6-methylpiperidin-2-yl)ethanone?
1-(3-bromophenyl)-2-(6-methylpiperidin-2-yl)ethanone has a molecular weight of 296.21 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(6-methylpiperidin-2-yl)ethanone is sourced from PubChem (CID 116685102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).