ethyl-[1-(4-fluoro-2,6-dimethylphenyl)-2-oxopiperidin-3-yl]-dimethylazanium;yttrium

C17H26FN2OY+ — CID 158394261

IUPACethyl-[1-(4-fluoro-2,6-dimethylphenyl)-2-oxopiperidin-3-yl]-dimethylazanium;yttrium
SMILESCC[N+](C)(C)C1CCCN(c2c(C)cc(F)cc2C)C1=O.[Y]
InChIInChI=1S/C17H26FN2O.Y/c1-6-20(4,5)15-8-7-9-19(17(15)21)16-12(2)10-14(18)11-13(16)3;/h10-11,15H,6-9H2,1-5H3;/q+1;
InChIKeyUCPDTQDEEYTQIJ-UHFFFAOYSA-N
MW382.31 g/mol
LogP3.03
Rot. Bonds3

About ethyl-[1-(4-fluoro-2,6-dimethylphenyl)-2-oxopiperidin-3-yl]-dimethylazanium;yttrium

ethyl-[1-(4-fluoro-2,6-dimethylphenyl)-2-oxopiperidin-3-yl]-dimethylazanium;yttrium (PubChem CID 158394261) has the molecular formula C17H26FN2OY+ and a molecular weight of 382.31 g/mol. Its IUPAC name is ethyl-[1-(4-fluoro-2,6-dimethylphenyl)-2-oxopiperidin-3-yl]-dimethylazanium;yttrium.

Molecular Properties

Compound Nameethyl-[1-(4-fluoro-2,6-dimethylphenyl)-2-oxopiperidin-3-yl]-dimethylazanium;yttrium
PubChem CID158394261
Molecular FormulaC17H26FN2OY+
Molecular Weight382.31 g/mol
Exact Mass382.11
IUPAC Nameethyl-[1-(4-fluoro-2,6-dimethylphenyl)-2-oxopiperidin-3-yl]-dimethylazanium;yttrium
SMILESCC[N+](C)(C)C1CCCN(c2c(C)cc(F)cc2C)C1=O.[Y]
InChIInChI=1S/C17H26FN2O.Y/c1-6-20(4,5)15-8-7-9-19(17(15)21)16-12(2)10-14(18)11-13(16)3;/h10-11,15H,6-9H2,1-5H3;/q+1;
InChIKeyUCPDTQDEEYTQIJ-UHFFFAOYSA-N
XLogP3.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

butyl-ethyl-methyl-[2-oxo-1-(2,4,6-trimethylphenyl)piperidin-3-yl]azanium
CID 155693323
(3R)-3-propanoyl-1-(2,4,6-trifluorophenyl)piperidin-2-one
CID 125449964
(3S)-3-propanoyl-1-(2,4,6-trifluorophenyl)piperidin-2-one
CID 125449969
1-(4-methoxy-2,6-dimethylphenyl)-3-methylpiperidin-2-one;yttrium
CID 158558111
[1-(2,6-dimethylphenyl)-2-oxopyrrolidin-3-yl]-trimethylazanium
CID 155692435
1-(4-chloro-2,6-dimethylphenyl)-3-(1-ethylpiperidin-1-ium-1-yl)piperidin-2-one
CID 158950032
(3S)-3-amino-1-(4-fluoro-2-methylphenyl)piperidin-2-one
CID 95240490
3-amino-1-(2,6-dichloro-4-fluorophenyl)piperidin-2-one
CID 83081282
1-(2,6-dimethylphenyl)-3-(1-ethylpyrrolidin-1-ium-1-yl)piperidin-2-one;yttrium
CID 158665564
1-(2,5-difluoro-4-methylphenyl)-3-(ethylamino)piperidin-2-one
CID 103587567
1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one
CID 117014121
1-(2-ethyl-6-methylphenyl)-3-hydroxypiperidin-2-one
CID 117014103

Frequently Asked Questions

What is the IUPAC name of ethyl-[1-(4-fluoro-2,6-dimethylphenyl)-2-oxopiperidin-3-yl]-dimethylazanium;yttrium?
The IUPAC name of ethyl-[1-(4-fluoro-2,6-dimethylphenyl)-2-oxopiperidin-3-yl]-dimethylazanium;yttrium (CID 158394261) is ethyl-[1-(4-fluoro-2,6-dimethylphenyl)-2-oxopiperidin-3-yl]-dimethylazanium;yttrium.
What is the SMILES notation for ethyl-[1-(4-fluoro-2,6-dimethylphenyl)-2-oxopiperidin-3-yl]-dimethylazanium;yttrium?
The canonical SMILES for ethyl-[1-(4-fluoro-2,6-dimethylphenyl)-2-oxopiperidin-3-yl]-dimethylazanium;yttrium is CC[N+](C)(C)C1CCCN(c2c(C)cc(F)cc2C)C1=O.[Y].
What is the InChIKey of ethyl-[1-(4-fluoro-2,6-dimethylphenyl)-2-oxopiperidin-3-yl]-dimethylazanium;yttrium?
The InChIKey is UCPDTQDEEYTQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN2O.Y/c1-6-20(4,5)15-8-7-9-19(17(15)21)16-12(2)10-14(18)11-13(16)3;/h10-11,15H,6-9H2,1-5H3;/q+1;.
What are the key properties of ethyl-[1-(4-fluoro-2,6-dimethylphenyl)-2-oxopiperidin-3-yl]-dimethylazanium;yttrium?
ethyl-[1-(4-fluoro-2,6-dimethylphenyl)-2-oxopiperidin-3-yl]-dimethylazanium;yttrium has a molecular weight of 382.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[1-(4-fluoro-2,6-dimethylphenyl)-2-oxopiperidin-3-yl]-dimethylazanium;yttrium is sourced from PubChem (CID 158394261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).