2-(6-methylpiperidin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone

C17H25NO — CID 116685161

IUPAC2-(6-methylpiperidin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CC2CCCC(C)N2)c(C)c1
InChIInChI=1S/C17H25NO/c1-11-8-12(2)17(13(3)9-11)16(19)10-15-7-5-6-14(4)18-15/h8-9,14-15,18H,5-7,10H2,1-4H3
InChIKeyLDFPEGJSZBNIKL-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.72
Rot. Bonds3

About 2-(6-methylpiperidin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone

2-(6-methylpiperidin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 116685161) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(6-methylpiperidin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(6-methylpiperidin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID116685161
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(6-methylpiperidin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CC2CCCC(C)N2)c(C)c1
InChIInChI=1S/C17H25NO/c1-11-8-12(2)17(13(3)9-11)16(19)10-15-7-5-6-14(4)18-15/h8-9,14-15,18H,5-7,10H2,1-4H3
InChIKeyLDFPEGJSZBNIKL-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluoro-4-methylphenyl)-2-(6-methylpiperidin-2-yl)ethanone
CID 116685376
1-(2-fluoro-4,6-dimethylphenyl)-2-pyrrolidin-2-ylethanone
CID 106883000
1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanone
CID 116685194
2-(6-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone
CID 116685105
2-[(1R,2R)-2-pyrrolidin-1-ylcyclopentyl]-1-(2,4,6-trimethylphenyl)ethanone
CID 58062913
2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 116920016
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115560594
2-(4-methylphenyl)-N-[(6-methylpiperidin-2-yl)methyl]acetamide
CID 55057430
2-[cyclobutyl(2-hydroxyethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 102864574
[(2R,6R)-6-methylpiperidin-2-yl]methanol
CID 10820546
4-hydroxy-2-methyl-N-[(6-methylpiperidin-2-yl)methyl]benzamide
CID 107671386
2-methoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 15502799

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylpiperidin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-(6-methylpiperidin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone (CID 116685161) is 2-(6-methylpiperidin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(6-methylpiperidin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-(6-methylpiperidin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CC2CCCC(C)N2)c(C)c1.
What is the InChIKey of 2-(6-methylpiperidin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is LDFPEGJSZBNIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-11-8-12(2)17(13(3)9-11)16(19)10-15-7-5-6-14(4)18-15/h8-9,14-15,18H,5-7,10H2,1-4H3.
What are the key properties of 2-(6-methylpiperidin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone?
2-(6-methylpiperidin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 259.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylpiperidin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 116685161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).