1-(4-methoxy-2,6-dimethylphenyl)-3-methylpiperidin-2-one;yttrium

C15H21NO2Y — CID 158558111

IUPAC1-(4-methoxy-2,6-dimethylphenyl)-3-methylpiperidin-2-one;yttrium
SMILESCOc1cc(C)c(N2CCCC(C)C2=O)c(C)c1.[Y]
InChIInChI=1S/C15H21NO2.Y/c1-10-6-5-7-16(15(10)17)14-11(2)8-13(18-4)9-12(14)3;/h8-10H,5-7H2,1-4H3;
InChIKeyOHAYUJUWJNTOCA-UHFFFAOYSA-N
MW336.24 g/mol
LogP3.07
Rot. Bonds2

About 1-(4-methoxy-2,6-dimethylphenyl)-3-methylpiperidin-2-one;yttrium

1-(4-methoxy-2,6-dimethylphenyl)-3-methylpiperidin-2-one;yttrium (PubChem CID 158558111) has the molecular formula C15H21NO2Y and a molecular weight of 336.24 g/mol. Its IUPAC name is 1-(4-methoxy-2,6-dimethylphenyl)-3-methylpiperidin-2-one;yttrium.

Molecular Properties

Compound Name1-(4-methoxy-2,6-dimethylphenyl)-3-methylpiperidin-2-one;yttrium
PubChem CID158558111
Molecular FormulaC15H21NO2Y
Molecular Weight336.24 g/mol
Exact Mass336.06
IUPAC Name1-(4-methoxy-2,6-dimethylphenyl)-3-methylpiperidin-2-one;yttrium
SMILESCOc1cc(C)c(N2CCCC(C)C2=O)c(C)c1.[Y]
InChIInChI=1S/C15H21NO2.Y/c1-10-6-5-7-16(15(10)17)14-11(2)8-13(18-4)9-12(14)3;/h8-10H,5-7H2,1-4H3;
InChIKeyOHAYUJUWJNTOCA-UHFFFAOYSA-N
XLogP3.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;ethyl-[1-(4-methoxy-2,6-dimethylphenyl)-2-oxopiperidin-3-yl]-methyl-propylazanium
CID 155693222
3-(1-ethylpyrrolidin-1-ium-1-yl)-1-(4-methoxy-2,6-dimethylphenyl)pyrrolidin-2-one;toluene;yttrium
CID 159339511
3-methyl-1-(3-methylphenyl)piperidin-2-one
CID 21249686
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 47173276
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine
CID 110728257
1-(2,6-dimethylphenyl)-3-(1-ethylpyrrolidin-1-ium-1-yl)piperidin-2-one;yttrium
CID 158665564
1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one
CID 104680027
ethyl-[1-(4-fluoro-2,6-dimethylphenyl)-2-oxopiperidin-3-yl]-dimethylazanium;yttrium
CID 158394261
4-methoxy-2,6-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94797694
1-(4-fluoro-3,5-dimethylphenyl)-3-methylpyrrolidin-2-one
CID 170055626
1-(4-methoxy-2-methylphenyl)pyrrolidin-2-one
CID 25155815
(2R,6S,7S)-7-(4-methoxyphenyl)-4-(2,4,6-trimethylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
CID 7315028

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)-3-methylpiperidin-2-one;yttrium?
The IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)-3-methylpiperidin-2-one;yttrium (CID 158558111) is 1-(4-methoxy-2,6-dimethylphenyl)-3-methylpiperidin-2-one;yttrium.
What is the SMILES notation for 1-(4-methoxy-2,6-dimethylphenyl)-3-methylpiperidin-2-one;yttrium?
The canonical SMILES for 1-(4-methoxy-2,6-dimethylphenyl)-3-methylpiperidin-2-one;yttrium is COc1cc(C)c(N2CCCC(C)C2=O)c(C)c1.[Y].
What is the InChIKey of 1-(4-methoxy-2,6-dimethylphenyl)-3-methylpiperidin-2-one;yttrium?
The InChIKey is OHAYUJUWJNTOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.Y/c1-10-6-5-7-16(15(10)17)14-11(2)8-13(18-4)9-12(14)3;/h8-10H,5-7H2,1-4H3;.
What are the key properties of 1-(4-methoxy-2,6-dimethylphenyl)-3-methylpiperidin-2-one;yttrium?
1-(4-methoxy-2,6-dimethylphenyl)-3-methylpiperidin-2-one;yttrium has a molecular weight of 336.24 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,6-dimethylphenyl)-3-methylpiperidin-2-one;yttrium is sourced from PubChem (CID 158558111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).