lithium;(3-aminophenyl)methanol;2-chloro-5-(4-methylphenyl)pyrimidine;methyl 1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylate;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methanol;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl methanesulfonate;1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylic acid;methyl piperidine-4-carboxylate;hydroxide

C115H126ClLiN14O12S — CID 158248278

IUPAClithium;(3-aminophenyl)methanol;2-chloro-5-(4-methylphenyl)pyrimidine;methyl 1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylate;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methanol;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl methanesulfonate;1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylic acid;methyl piperidine-4-carboxylate;hydroxide
SMILESCOC(=O)C1CCN(Cc2cccc(Cc3ncc(-c4ccc(C)cc4)cn3)c2)CC1.COC(=O)C1CCNCC1.Cc1ccc(-c2cnc(Cc3cccc(CN4CCC(C(=O)O)CC4)c3)nc2)cc1.Cc1ccc(-c2cnc(Cc3cccc(CO)c3)nc2)cc1.Cc1ccc(-c2cnc(Cc3cccc(COS(C)(=O)=O)c3)nc2)cc1.Cc1ccc(-c2cnc(Cl)nc2)cc1.Nc1cccc(CO)c1.[Li+].[OH-]
InChIInChI=1S/C26H29N3O2.C25H27N3O2.C20H20N2O3S.C19H18N2O.C11H9ClN2.C7H13NO2.C7H9NO.Li.H2O/c1-19-6-8-22(9-7-19)24-16-27-25(28-17-24)15-20-4-3-5-21(14-20)18-29-12-10-23(11-13-29)26(30)31-2;1-18-5-7-21(8-6-18)23-15-26-24(27-16-23)14-19-3-2-4-20(13-19)17-28-11-9-22(10-12-28)25(29)30;1-15-6-8-18(9-7-15)19-12-21-20(22-13-19)11-16-4-3-5-17(10-16)14-25-26(2,23)24;1-14-5-7-17(8-6-14)18-11-20-19(21-12-18)10-15-3-2-4-16(9-15)13-22;1-8-2-4-9(5-3-8)10-6-13-11(12)14-7-10;1-10-7(9)6-2-4-8-5-3-6;8-7-3-1-2-6(4-7)5-9;;/h3-9,14,16-17,23H,10-13,15,18H2,1-2H3;2-8,13,15-16,22H,9-12,14,17H2,1H3,(H,29,30);3-10,12-13H,11,14H2,1-2H3;2-9,11-12,22H,10,13H2,1H3;2-7H,1H3;6,8H,2-5H2,1H3;1-4,9H,5,8H2;;1H2/q;;;;;;;+1;/p-1
InChIKeyGGJXWUFXASZAAT-UHFFFAOYSA-M
MW1970.82 g/mol
LogP16.67
Rot. Bonds25

About lithium;(3-aminophenyl)methanol;2-chloro-5-(4-methylphenyl)pyrimidine;methyl 1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylate;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methanol;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl methanesulfonate;1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylic acid;methyl piperidine-4-carboxylate;hydroxide

lithium;(3-aminophenyl)methanol;2-chloro-5-(4-methylphenyl)pyrimidine;methyl 1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylate;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methanol;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl methanesulfonate;1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylic acid;methyl piperidine-4-carboxylate;hydroxide (PubChem CID 158248278) has the molecular formula C115H126ClLiN14O12S and a molecular weight of 1970.82 g/mol. Its IUPAC name is lithium;(3-aminophenyl)methanol;2-chloro-5-(4-methylphenyl)pyrimidine;methyl 1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylate;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methanol;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl methanesulfonate;1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylic acid;methyl piperidine-4-carboxylate;hydroxide.

Molecular Properties

Compound Namelithium;(3-aminophenyl)methanol;2-chloro-5-(4-methylphenyl)pyrimidine;methyl 1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylate;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methanol;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl methanesulfonate;1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylic acid;methyl piperidine-4-carboxylate;hydroxide
PubChem CID158248278
Molecular FormulaC115H126ClLiN14O12S
Molecular Weight1970.82 g/mol
Exact Mass1968.92
IUPAC Namelithium;(3-aminophenyl)methanol;2-chloro-5-(4-methylphenyl)pyrimidine;methyl 1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylate;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methanol;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl methanesulfonate;1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylic acid;methyl piperidine-4-carboxylate;hydroxide
SMILESCOC(=O)C1CCN(Cc2cccc(Cc3ncc(-c4ccc(C)cc4)cn3)c2)CC1.COC(=O)C1CCNCC1.Cc1ccc(-c2cnc(Cc3cccc(CN4CCC(C(=O)O)CC4)c3)nc2)cc1.Cc1ccc(-c2cnc(Cc3cccc(CO)c3)nc2)cc1.Cc1ccc(-c2cnc(Cc3cccc(COS(C)(=O)=O)c3)nc2)cc1.Cc1ccc(-c2cnc(Cl)nc2)cc1.Nc1cccc(CO)c1.[Li+].[OH-]
InChIInChI=1S/C26H29N3O2.C25H27N3O2.C20H20N2O3S.C19H18N2O.C11H9ClN2.C7H13NO2.C7H9NO.Li.H2O/c1-19-6-8-22(9-7-19)24-16-27-25(28-17-24)15-20-4-3-5-21(14-20)18-29-12-10-23(11-13-29)26(30)31-2;1-18-5-7-21(8-6-18)23-15-26-24(27-16-23)14-19-3-2-4-20(13-19)17-28-11-9-22(10-12-28)25(29)30;1-15-6-8-18(9-7-15)19-12-21-20(22-13-19)11-16-4-3-5-17(10-16)14-25-26(2,23)24;1-14-5-7-17(8-6-14)18-11-20-19(21-12-18)10-15-3-2-4-16(9-15)13-22;1-8-2-4-9(5-3-8)10-6-13-11(12)14-7-10;1-10-7(9)6-2-4-8-5-3-6;8-7-3-1-2-6(4-7)5-9;;/h3-9,14,16-17,23H,10-13,15,18H2,1-2H3;2-8,13,15-16,22H,9-12,14,17H2,1H3,(H,29,30);3-10,12-13H,11,14H2,1-2H3;2-9,11-12,22H,10,13H2,1H3;2-7H,1H3;6,8H,2-5H2,1H3;1-4,9H,5,8H2;;1H2/q;;;;;;;+1;/p-1
InChIKeyGGJXWUFXASZAAT-UHFFFAOYSA-M
XLogP16.67
TPSA377.16 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001970.82
LogP ≤ 516.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze lithium;(3-aminophenyl)methanol;2-chloro-5-(4-methylphenyl)pyrimidine;methyl 1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylate;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methanol;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl methanesulfonate;1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylic acid;methyl piperidine-4-carboxylate;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

Lithium;2-chloro-5-(4-methylphenyl)pyrimidine;ethyl 2-(4-aminophenyl)acetate;ethyl 3-hydroxy-2-[4-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]propanoate;ethyl 2-[4-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]acetate;3-hydroxy-2-[4-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]propanoic acid;hydroxide
CID 157725654
Lithium;2-(4-aminophenyl)ethanol;5-bromo-2-chloropyrimidine;2-[4-[(5-bromopyrimidin-2-yl)methyl]phenyl]ethanol;2-[4-[(5-bromopyrimidin-2-yl)methyl]phenyl]ethyl methanesulfonate;1-[2-[4-[(5-bromopyrimidin-2-yl)methyl]phenyl]ethyl]piperidine-4-carboxylic acid;methyl 1-[2-[4-[(5-bromopyrimidin-2-yl)methyl]phenyl]ethyl]piperidine-4-carboxylate;methyl piperidine-4-carboxylate;hydroxide
CID 159414579

Frequently Asked Questions

What is the IUPAC name of lithium;(3-aminophenyl)methanol;2-chloro-5-(4-methylphenyl)pyrimidine;methyl 1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylate;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methanol;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl methanesulfonate;1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylic acid;methyl piperidine-4-carboxylate;hydroxide?
The IUPAC name of lithium;(3-aminophenyl)methanol;2-chloro-5-(4-methylphenyl)pyrimidine;methyl 1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylate;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methanol;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl methanesulfonate;1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylic acid;methyl piperidine-4-carboxylate;hydroxide (CID 158248278) is lithium;(3-aminophenyl)methanol;2-chloro-5-(4-methylphenyl)pyrimidine;methyl 1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylate;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methanol;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl methanesulfonate;1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylic acid;methyl piperidine-4-carboxylate;hydroxide.
What is the SMILES notation for lithium;(3-aminophenyl)methanol;2-chloro-5-(4-methylphenyl)pyrimidine;methyl 1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylate;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methanol;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl methanesulfonate;1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylic acid;methyl piperidine-4-carboxylate;hydroxide?
The canonical SMILES for lithium;(3-aminophenyl)methanol;2-chloro-5-(4-methylphenyl)pyrimidine;methyl 1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylate;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methanol;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl methanesulfonate;1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylic acid;methyl piperidine-4-carboxylate;hydroxide is COC(=O)C1CCN(Cc2cccc(Cc3ncc(-c4ccc(C)cc4)cn3)c2)CC1.COC(=O)C1CCNCC1.Cc1ccc(-c2cnc(Cc3cccc(CN4CCC(C(=O)O)CC4)c3)nc2)cc1.Cc1ccc(-c2cnc(Cc3cccc(CO)c3)nc2)cc1.Cc1ccc(-c2cnc(Cc3cccc(COS(C)(=O)=O)c3)nc2)cc1.Cc1ccc(-c2cnc(Cl)nc2)cc1.Nc1cccc(CO)c1.[Li+].[OH-].
What is the InChIKey of lithium;(3-aminophenyl)methanol;2-chloro-5-(4-methylphenyl)pyrimidine;methyl 1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylate;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methanol;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl methanesulfonate;1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylic acid;methyl piperidine-4-carboxylate;hydroxide?
The InChIKey is GGJXWUFXASZAAT-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H29N3O2.C25H27N3O2.C20H20N2O3S.C19H18N2O.C11H9ClN2.C7H13NO2.C7H9NO.Li.H2O/c1-19-6-8-22(9-7-19)24-16-27-25(28-17-24)15-20-4-3-5-21(14-20)18-29-12-10-23(11-13-29)26(30)31-2;1-18-5-7-21(8-6-18)23-15-26-24(27-16-23)14-19-3-2-4-20(13-19)17-28-11-9-22(10-12-28)25(29)30;1-15-6-8-18(9-7-15)19-12-21-20(22-13-19)11-16-4-3-5-17(10-16)14-25-26(2,23)24;1-14-5-7-17(8-6-14)18-11-20-19(21-12-18)10-15-3-2-4-16(9-15)13-22;1-8-2-4-9(5-3-8)10-6-13-11(12)14-7-10;1-10-7(9)6-2-4-8-5-3-6;8-7-3-1-2-6(4-7)5-9;;/h3-9,14,16-17,23H,10-13,15,18H2,1-2H3;2-8,13,15-16,22H,9-12,14,17H2,1H3,(H,29,30);3-10,12-13H,11,14H2,1-2H3;2-9,11-12,22H,10,13H2,1H3;2-7H,1H3;6,8H,2-5H2,1H3;1-4,9H,5,8H2;;1H2/q;;;;;;;+1;/p-1.
What are the key properties of lithium;(3-aminophenyl)methanol;2-chloro-5-(4-methylphenyl)pyrimidine;methyl 1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylate;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methanol;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl methanesulfonate;1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylic acid;methyl piperidine-4-carboxylate;hydroxide?
lithium;(3-aminophenyl)methanol;2-chloro-5-(4-methylphenyl)pyrimidine;methyl 1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylate;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methanol;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl methanesulfonate;1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylic acid;methyl piperidine-4-carboxylate;hydroxide has a molecular weight of 1970.82 g/mol, XLogP of 16.67, 25 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(3-aminophenyl)methanol;2-chloro-5-(4-methylphenyl)pyrimidine;methyl 1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylate;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methanol;[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl methanesulfonate;1-[[3-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]methyl]piperidine-4-carboxylic acid;methyl piperidine-4-carboxylate;hydroxide is sourced from PubChem (CID 158248278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).