lithium;2-(4-amino-3,3-dimethylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3,3-dimethylpiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;3,3-dimethylpiperidin-4-amine;2-fluorobenzonitrile;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;2-piperazin-1-ylbenzenesulfonamide;hydroxide;hydrate;dihydrochloride

C153H212BrCl2FLiN23O18S2 — CID 158046516

About lithium;2-(4-amino-3,3-dimethylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3,3-dimethylpiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;3,3-dimethylpiperidin-4-amine;2-fluorobenzonitrile;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;2-piperazin-1-ylbenzenesulfonamide;hydroxide;hydrate;dihydrochloride

lithium;2-(4-amino-3,3-dimethylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3,3-dimethylpiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;3,3-dimethylpiperidin-4-amine;2-fluorobenzonitrile;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;2-piperazin-1-ylbenzenesulfonamide;hydroxide;hydrate;dihydrochloride (PubChem CID 158046516) has the molecular formula C153H212BrCl2FLiN23O18S2 and a molecular weight of 2902.40 g/mol. Its IUPAC name is lithium;2-(4-amino-3,3-dimethylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3,3-dimethylpiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;3,3-dimethylpiperidin-4-amine;2-fluorobenzonitrile;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;2-piperazin-1-ylbenzenesulfonamide;hydroxide;hydrate;dihydrochloride.

Molecular Properties

• Compound Name: lithium;2-(4-amino-3,3-dimethylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3,3-dimethylpiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;3,3-dimethylpiperidin-4-amine;2-fluorobenzonitrile;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;2-piperazin-1-ylbenzenesulfonamide;hydroxide;hydrate;dihydrochloride
• PubChem CID: 158046516
• Molecular Formula: C153H212BrCl2FLiN23O18S2
• Molecular Weight: 2902.40 g/mol
• Exact Mass: 2898.45
• IUPAC Name: lithium;2-(4-amino-3,3-dimethylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3,3-dimethylpiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;3,3-dimethylpiperidin-4-amine;2-fluorobenzonitrile;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;2-piperazin-1-ylbenzenesulfonamide;hydroxide;hydrate;dihydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC(=O)C(C)(C)C1.CC(C)(C)OC(=O)N1CCC(N)C(C)(C)C1.CC1(C)CN(c2ccccc2C#N)CCC1N.CC1(C)CNCCC1N.COC(=O)c1cc(Br)c(C)cc1C.COC(=O)c1cc(NC2CCN(c3ccccc3C#N)CC2(C)C)c(C)cc1C.Cc1cc(C)c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1CC1CCN(c2ccccc2C#N)CC1(C)C.Cc1cc(C)c(C(=O)O)cc1NC1CCN(c2ccccc2C#N)CC1(C)C.Cl.Cl.N#Cc1ccccc1F.NS(=O)(=O)c1ccccc1N1CCNCC1.O.[Li+].[OH-]
• InChI: InChI=1S/C34H41N5O3S.C24H29N3O2.C23H27N3O2.C14H19N3.C12H24N2O2.C12H21NO3.C10H11BrO2.C10H15N3O2S.C7H4FN.C7H16N2.2ClH.Li.2H2O/c1-24-19-25(2)29(33(40)38-17-15-37(16-18-38)31-11-7-8-12-32(31)43(36,41)42)21-27(24)20-28-13-14-39(23-34(28,3)4)30-10-6-5-9-26(30)22-35;1-16-12-17(2)20(13-19(16)23(28)29-5)26-22-10-11-27(15-24(22,3)4)21-9-7-6-8-18(21)14-25;1-15-11-16(2)19(12-18(15)22(27)28)25-21-9-10-26(14-23(21,3)4)20-8-6-5-7-17(20)13-24;1-14(2)10-17(8-7-13(14)16)12-6-4-3-5-11(12)9-15;1-11(2,3)16-10(15)14-7-6-9(13)12(4,5)8-14;1-11(2,3)16-10(15)13-7-6-9(14)12(4,5)8-13;1-6-4-7(2)9(11)5-8(6)10(12)13-3;11-16(14,15)10-4-2-1-3-9(10)13-7-5-12-6-8-13;8-7-4-2-1-3-6(7)5-9;1-7(2)5-9-4-3-6(7)8;;;;;/h5-12,19,21,28H,13-18,20,23H2,1-4H3,(H2,36,41,42);6-9,12-13,22,26H,10-11,15H2,1-5H3;5-8,11-12,21,25H,9-10,14H2,1-4H3,(H,27,28);3-6,13H,7-8,10,16H2,1-2H3;9H,6-8,13H2,1-5H3;6-8H2,1-5H3;4-5H,1-3H3;1-4,12H,5-8H2,(H2,11,14,15);1-4H;6,9H,3-5,8H2,1-2H3;2*1H;;2*1H2/q;;;;;;;;;;;;+1;;/p-1
• InChIKey: JHRWVCNMVPWKEC-UHFFFAOYSA-M
• XLogP: 21.95
• TPSA: 632.75 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 18
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2902.40
LogP ≤ 5	21.95
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;2-(4-amino-3,3-dimethylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3,3-dimethylpiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;3,3-dimethylpiperidin-4-amine;2-fluorobenzonitrile;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;2-piperazin-1-ylbenzenesulfonamide;hydroxide;hydrate;dihydrochloride?

The IUPAC name of lithium;2-(4-amino-3,3-dimethylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3,3-dimethylpiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;3,3-dimethylpiperidin-4-amine;2-fluorobenzonitrile;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;2-piperazin-1-ylbenzenesulfonamide;hydroxide;hydrate;dihydrochloride (CID 158046516) is lithium;2-(4-amino-3,3-dimethylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3,3-dimethylpiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;3,3-dimethylpiperidin-4-amine;2-fluorobenzonitrile;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;2-piperazin-1-ylbenzenesulfonamide;hydroxide;hydrate;dihydrochloride.

What is the SMILES notation for lithium;2-(4-amino-3,3-dimethylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3,3-dimethylpiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;3,3-dimethylpiperidin-4-amine;2-fluorobenzonitrile;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;2-piperazin-1-ylbenzenesulfonamide;hydroxide;hydrate;dihydrochloride?

The canonical SMILES for lithium;2-(4-amino-3,3-dimethylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3,3-dimethylpiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;3,3-dimethylpiperidin-4-amine;2-fluorobenzonitrile;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;2-piperazin-1-ylbenzenesulfonamide;hydroxide;hydrate;dihydrochloride is CC(C)(C)OC(=O)N1CCC(=O)C(C)(C)C1.CC(C)(C)OC(=O)N1CCC(N)C(C)(C)C1.CC1(C)CN(c2ccccc2C#N)CCC1N.CC1(C)CNCCC1N.COC(=O)c1cc(Br)c(C)cc1C.COC(=O)c1cc(NC2CCN(c3ccccc3C#N)CC2(C)C)c(C)cc1C.Cc1cc(C)c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1CC1CCN(c2ccccc2C#N)CC1(C)C.Cc1cc(C)c(C(=O)O)cc1NC1CCN(c2ccccc2C#N)CC1(C)C.Cl.Cl.N#Cc1ccccc1F.NS(=O)(=O)c1ccccc1N1CCNCC1.O.[Li+].[OH-].

What is the InChIKey of lithium;2-(4-amino-3,3-dimethylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3,3-dimethylpiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;3,3-dimethylpiperidin-4-amine;2-fluorobenzonitrile;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;2-piperazin-1-ylbenzenesulfonamide;hydroxide;hydrate;dihydrochloride?

The InChIKey is JHRWVCNMVPWKEC-UHFFFAOYSA-M. The full InChI is InChI=1S/C34H41N5O3S.C24H29N3O2.C23H27N3O2.C14H19N3.C12H24N2O2.C12H21NO3.C10H11BrO2.C10H15N3O2S.C7H4FN.C7H16N2.2ClH.Li.2H2O/c1-24-19-25(2)29(33(40)38-17-15-37(16-18-38)31-11-7-8-12-32(31)43(36,41)42)21-27(24)20-28-13-14-39(23-34(28,3)4)30-10-6-5-9-26(30)22-35;1-16-12-17(2)20(13-19(16)23(28)29-5)26-22-10-11-27(15-24(22,3)4)21-9-7-6-8-18(21)14-25;1-15-11-16(2)19(12-18(15)22(27)28)25-21-9-10-26(14-23(21,3)4)20-8-6-5-7-17(20)13-24;1-14(2)10-17(8-7-13(14)16)12-6-4-3-5-11(12)9-15;1-11(2,3)16-10(15)14-7-6-9(13)12(4,5)8-14;1-11(2,3)16-10(15)13-7-6-9(14)12(4,5)8-13;1-6-4-7(2)9(11)5-8(6)10(12)13-3;11-16(14,15)10-4-2-1-3-9(10)13-7-5-12-6-8-13;8-7-4-2-1-3-6(7)5-9;1-7(2)5-9-4-3-6(7)8;;;;;/h5-12,19,21,28H,13-18,20,23H2,1-4H3,(H2,36,41,42);6-9,12-13,22,26H,10-11,15H2,1-5H3;5-8,11-12,21,25H,9-10,14H2,1-4H3,(H,27,28);3-6,13H,7-8,10,16H2,1-2H3;9H,6-8,13H2,1-5H3;6-8H2,1-5H3;4-5H,1-3H3;1-4,12H,5-8H2,(H2,11,14,15);1-4H;6,9H,3-5,8H2,1-2H3;2*1H;;2*1H2/q;;;;;;;;;;;;+1;;/p-1.

What are the key properties of lithium;2-(4-amino-3,3-dimethylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3,3-dimethylpiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;3,3-dimethylpiperidin-4-amine;2-fluorobenzonitrile;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;2-piperazin-1-ylbenzenesulfonamide;hydroxide;hydrate;dihydrochloride?

lithium;2-(4-amino-3,3-dimethylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3,3-dimethylpiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;3,3-dimethylpiperidin-4-amine;2-fluorobenzonitrile;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;2-piperazin-1-ylbenzenesulfonamide;hydroxide;hydrate;dihydrochloride has a molecular weight of 2902.40 g/mol, XLogP of 21.95, 18 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-(4-amino-3,3-dimethylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3,3-dimethylpiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;3,3-dimethylpiperidin-4-amine;2-fluorobenzonitrile;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;2-piperazin-1-ylbenzenesulfonamide;hydroxide;hydrate;dihydrochloride is sourced from PubChem (CID 158046516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).