lithium;1-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]ethane-1,2-dione;hydroxide

C15H18FLiNO3- — CID 164751513

IUPAClithium;1-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]ethane-1,2-dione;hydroxide
SMILESCc1cc(C2CCC(C)CN2C(=O)[C-]=O)ccc1F.[Li+].[OH-]
InChIInChI=1S/C15H17FNO2.Li.H2O/c1-10-3-6-14(17(8-10)15(19)9-18)12-4-5-13(16)11(2)7-12;;/h4-5,7,10,14H,3,6,8H2,1-2H3;;1H2/q-1;+1;/p-1
InChIKeyOBJCHZSXYJAELO-UHFFFAOYSA-M
MW286.25 g/mol
LogP-0.63
Rot. Bonds2

About lithium;1-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]ethane-1,2-dione;hydroxide

lithium;1-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]ethane-1,2-dione;hydroxide (PubChem CID 164751513) has the molecular formula C15H18FLiNO3- and a molecular weight of 286.25 g/mol. Its IUPAC name is lithium;1-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]ethane-1,2-dione;hydroxide.

Molecular Properties

Compound Namelithium;1-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]ethane-1,2-dione;hydroxide
PubChem CID164751513
Molecular FormulaC15H18FLiNO3-
Molecular Weight286.25 g/mol
Exact Mass286.14
IUPAC Namelithium;1-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]ethane-1,2-dione;hydroxide
SMILESCc1cc(C2CCC(C)CN2C(=O)[C-]=O)ccc1F.[Li+].[OH-]
InChIInChI=1S/C15H17FNO2.Li.H2O/c1-10-3-6-14(17(8-10)15(19)9-18)12-4-5-13(16)11(2)7-12;;/h4-5,7,10,14H,3,6,8H2,1-2H3;;1H2/q-1;+1;/p-1
InChIKeyOBJCHZSXYJAELO-UHFFFAOYSA-M
XLogP-0.63
TPSA67.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze lithium;1-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]ethane-1,2-dione;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde
CID 164751514
5-[[2-[(2S,5R)-2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750589
1-[4-[1-acetyl-6-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 42866441
(3R,6R)-1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid
CID 92996555
cyclopropyl-[2-(4-fluoro-3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone
CID 71955059
2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetic acid
CID 164752458
(2R,5R)-5-(4-acetylpiperazine-1-carbonyl)-N-butyl-2-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide
CID 92997081
(4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790630
(3S,6S)-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92996779
(3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
CID 93001653
1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 82050236
3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid
CID 175474650

Frequently Asked Questions

What is the IUPAC name of lithium;1-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]ethane-1,2-dione;hydroxide?
The IUPAC name of lithium;1-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]ethane-1,2-dione;hydroxide (CID 164751513) is lithium;1-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]ethane-1,2-dione;hydroxide.
What is the SMILES notation for lithium;1-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]ethane-1,2-dione;hydroxide?
The canonical SMILES for lithium;1-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]ethane-1,2-dione;hydroxide is Cc1cc(C2CCC(C)CN2C(=O)[C-]=O)ccc1F.[Li+].[OH-].
What is the InChIKey of lithium;1-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]ethane-1,2-dione;hydroxide?
The InChIKey is OBJCHZSXYJAELO-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H17FNO2.Li.H2O/c1-10-3-6-14(17(8-10)15(19)9-18)12-4-5-13(16)11(2)7-12;;/h4-5,7,10,14H,3,6,8H2,1-2H3;;1H2/q-1;+1;/p-1.
What are the key properties of lithium;1-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]ethane-1,2-dione;hydroxide?
lithium;1-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]ethane-1,2-dione;hydroxide has a molecular weight of 286.25 g/mol, XLogP of -0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]ethane-1,2-dione;hydroxide is sourced from PubChem (CID 164751513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).