1-(2-methoxy-5-methylphenyl)-4,4-dimethylpiperidin-3-one

C15H21NO2 — CID 117025206

IUPAC1-(2-methoxy-5-methylphenyl)-4,4-dimethylpiperidin-3-one
SMILESCOc1ccc(C)cc1N1CCC(C)(C)C(=O)C1
InChIInChI=1S/C15H21NO2/c1-11-5-6-13(18-4)12(9-11)16-8-7-15(2,3)14(17)10-16/h5-6,9H,7-8,10H2,1-4H3
InChIKeyRLUQQAOCROZEGB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.81
Rot. Bonds2

About 1-(2-methoxy-5-methylphenyl)-4,4-dimethylpiperidin-3-one

1-(2-methoxy-5-methylphenyl)-4,4-dimethylpiperidin-3-one (PubChem CID 117025206) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-4,4-dimethylpiperidin-3-one.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-4,4-dimethylpiperidin-3-one
PubChem CID117025206
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(2-methoxy-5-methylphenyl)-4,4-dimethylpiperidin-3-one
SMILESCOc1ccc(C)cc1N1CCC(C)(C)C(=O)C1
InChIInChI=1S/C15H21NO2/c1-11-5-6-13(18-4)12(9-11)16-8-7-15(2,3)14(17)10-16/h5-6,9H,7-8,10H2,1-4H3
InChIKeyRLUQQAOCROZEGB-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-4-methylpiperidine-4-carboxylic acid
CID 117011695
4-(2-methoxy-5-methylphenyl)piperazine-2,6-dione
CID 55236738
4-(aminomethyl)-1-(2-methoxy-5-methylphenyl)piperidin-4-ol
CID 82297536
1-(2-methoxy-5-methylphenyl)-4-methylpiperazine
CID 20811370
1-(2-methoxy-5-methylphenyl)-3,3-dimethylpiperazine
CID 64926759
3-amino-1-(2-methoxy-5-methylphenyl)pyrrolidine-3-carbonitrile
CID 117013000
1-(2-methoxy-5-methylphenyl)-2,2-dimethylpyrrolidine-3-carbonitrile
CID 117017225
1-(2-methoxy-4-methylphenyl)-N,4-dimethylpiperidin-4-amine
CID 166899283
1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole
CID 39243590
1-(2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidine-3-carboxylic acid
CID 117018427
4-amino-2-(2-methoxy-5-methylphenyl)-3H-isoindol-1-one
CID 82165808
4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111363

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-4,4-dimethylpiperidin-3-one?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-4,4-dimethylpiperidin-3-one (CID 117025206) is 1-(2-methoxy-5-methylphenyl)-4,4-dimethylpiperidin-3-one.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-4,4-dimethylpiperidin-3-one?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-4,4-dimethylpiperidin-3-one is COc1ccc(C)cc1N1CCC(C)(C)C(=O)C1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-4,4-dimethylpiperidin-3-one?
The InChIKey is RLUQQAOCROZEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-5-6-13(18-4)12(9-11)16-8-7-15(2,3)14(17)10-16/h5-6,9H,7-8,10H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-4,4-dimethylpiperidin-3-one?
1-(2-methoxy-5-methylphenyl)-4,4-dimethylpiperidin-3-one has a molecular weight of 247.34 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-4,4-dimethylpiperidin-3-one is sourced from PubChem (CID 117025206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).