6,6-dimethyl-1-(2-methylphenyl)piperidin-3-one

C14H19NO — CID 117020918

IUPAC6,6-dimethyl-1-(2-methylphenyl)piperidin-3-one
SMILESCc1ccccc1N1CC(=O)CCC1(C)C
InChIInChI=1S/C14H19NO/c1-11-6-4-5-7-13(11)15-10-12(16)8-9-14(15,2)3/h4-7H,8-10H2,1-3H3
InChIKeyARDKXDBTEOMDDL-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.94
Rot. Bonds1

About 6,6-dimethyl-1-(2-methylphenyl)piperidin-3-one

6,6-dimethyl-1-(2-methylphenyl)piperidin-3-one (PubChem CID 117020918) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 6,6-dimethyl-1-(2-methylphenyl)piperidin-3-one.

Molecular Properties

Compound Name6,6-dimethyl-1-(2-methylphenyl)piperidin-3-one
PubChem CID117020918
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name6,6-dimethyl-1-(2-methylphenyl)piperidin-3-one
SMILESCc1ccccc1N1CC(=O)CCC1(C)C
InChIInChI=1S/C14H19NO/c1-11-6-4-5-7-13(11)15-10-12(16)8-9-14(15,2)3/h4-7H,8-10H2,1-3H3
InChIKeyARDKXDBTEOMDDL-UHFFFAOYSA-N
XLogP2.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methylphenyl)-6,6-dimethylpiperidin-3-one
CID 117020944
1-(2-ethyl-6-methylphenyl)-6,6-dimethylpiperidin-3-one
CID 117020929
1-(2-bromo-4-methylphenyl)-6,6-dimethylpiperidin-3-one
CID 117020971
6,6-dimethyl-1-(3-methylphenyl)piperidin-3-one
CID 117020919
1-(2-methylphenyl)pyrrolidin-3-one
CID 23052785
1-(2,5-dimethoxyphenyl)-6,6-dimethylpiperidin-3-one
CID 117020960
6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one
CID 117020911
5,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-one
CID 117018061
2,2-dimethyl-1-(2-methylphenyl)piperidin-4-amine
CID 117020100
(1R,13S)-13-methyl-6-aza-2-azoniatetracyclo[11.4.0.01,6.07,12]heptadeca-7,9,11-trien-4-one
CID 7802799
1-methylspiro[2H-indole-3,4'-cyclohexane]-1'-one
CID 164582024
1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-one
CID 117020027

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(2-methylphenyl)piperidin-3-one?
The IUPAC name of 6,6-dimethyl-1-(2-methylphenyl)piperidin-3-one (CID 117020918) is 6,6-dimethyl-1-(2-methylphenyl)piperidin-3-one.
What is the SMILES notation for 6,6-dimethyl-1-(2-methylphenyl)piperidin-3-one?
The canonical SMILES for 6,6-dimethyl-1-(2-methylphenyl)piperidin-3-one is Cc1ccccc1N1CC(=O)CCC1(C)C.
What is the InChIKey of 6,6-dimethyl-1-(2-methylphenyl)piperidin-3-one?
The InChIKey is ARDKXDBTEOMDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-6-4-5-7-13(11)15-10-12(16)8-9-14(15,2)3/h4-7H,8-10H2,1-3H3.
What are the key properties of 6,6-dimethyl-1-(2-methylphenyl)piperidin-3-one?
6,6-dimethyl-1-(2-methylphenyl)piperidin-3-one has a molecular weight of 217.31 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(2-methylphenyl)piperidin-3-one is sourced from PubChem (CID 117020918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).