1-(2-ethyl-6-methylphenyl)-6,6-dimethylpiperidin-3-one

C16H23NO — CID 117020929

IUPAC1-(2-ethyl-6-methylphenyl)-6,6-dimethylpiperidin-3-one
SMILESCCc1cccc(C)c1N1CC(=O)CCC1(C)C
InChIInChI=1S/C16H23NO/c1-5-13-8-6-7-12(2)15(13)17-11-14(18)9-10-16(17,3)4/h6-8H,5,9-11H2,1-4H3
InChIKeyMWRJIXBICORLMI-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.51
Rot. Bonds2

About 1-(2-ethyl-6-methylphenyl)-6,6-dimethylpiperidin-3-one

1-(2-ethyl-6-methylphenyl)-6,6-dimethylpiperidin-3-one (PubChem CID 117020929) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-6,6-dimethylpiperidin-3-one.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)-6,6-dimethylpiperidin-3-one
PubChem CID117020929
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(2-ethyl-6-methylphenyl)-6,6-dimethylpiperidin-3-one
SMILESCCc1cccc(C)c1N1CC(=O)CCC1(C)C
InChIInChI=1S/C16H23NO/c1-5-13-8-6-7-12(2)15(13)17-11-14(18)9-10-16(17,3)4/h6-8H,5,9-11H2,1-4H3
InChIKeyMWRJIXBICORLMI-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,6-dimethyl-1-(2-methylphenyl)piperidin-3-one
CID 117020918
1-(2-ethyl-6-methylphenyl)piperidin-4-one
CID 117028332
1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-one
CID 117020027
1-(4-chloro-2-methylphenyl)-6,6-dimethylpiperidin-3-one
CID 117020944
1-(2-ethyl-6-methylphenyl)pyrrolidine
CID 168515642
3,4-dibromo-1-(2-ethyl-6-methylphenyl)pyrrole-2,5-dione
CID 14349492
2-(2,6-diethylphenyl)-3,3-dimethyl-2-azaspiro[4.4]nonane
CID 155771376
4-(2-ethyl-6-methylphenyl)-7,7-dimethyl-1,4-diazepan-5-one
CID 117023411
1-(4-ethylbenzoyl)-6,6-dimethylpiperidin-3-one
CID 115276264
1-(2-ethyl-6-methylphenyl)azetidin-3-amine
CID 117002804
1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]cyclopentan-1-amine
CID 3378751
4-amino-1-(2-ethyl-6-methylphenyl)piperidine-4-carboxylic acid
CID 117011778

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-6,6-dimethylpiperidin-3-one?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)-6,6-dimethylpiperidin-3-one (CID 117020929) is 1-(2-ethyl-6-methylphenyl)-6,6-dimethylpiperidin-3-one.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-6,6-dimethylpiperidin-3-one?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-6,6-dimethylpiperidin-3-one is CCc1cccc(C)c1N1CC(=O)CCC1(C)C.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-6,6-dimethylpiperidin-3-one?
The InChIKey is MWRJIXBICORLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-5-13-8-6-7-12(2)15(13)17-11-14(18)9-10-16(17,3)4/h6-8H,5,9-11H2,1-4H3.
What are the key properties of 1-(2-ethyl-6-methylphenyl)-6,6-dimethylpiperidin-3-one?
1-(2-ethyl-6-methylphenyl)-6,6-dimethylpiperidin-3-one has a molecular weight of 245.37 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)-6,6-dimethylpiperidin-3-one is sourced from PubChem (CID 117020929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).