2-(4-amino-3-methylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3-methylpiperidine-1-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;3-methylpiperidin-4-amine

C119H163N19O12S — CID 159283207

About 2-(4-amino-3-methylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3-methylpiperidine-1-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;3-methylpiperidin-4-amine

2-(4-amino-3-methylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3-methylpiperidine-1-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;3-methylpiperidin-4-amine (PubChem CID 159283207) has the molecular formula C119H163N19O12S and a molecular weight of 2083.80 g/mol. Its IUPAC name is 2-(4-amino-3-methylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3-methylpiperidine-1-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;3-methylpiperidin-4-amine.

Molecular Properties

• Compound Name: 2-(4-amino-3-methylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3-methylpiperidine-1-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;3-methylpiperidin-4-amine
• PubChem CID: 159283207
• Molecular Formula: C119H163N19O12S
• Molecular Weight: 2083.80 g/mol
• Exact Mass: 2082.24
• IUPAC Name: 2-(4-amino-3-methylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3-methylpiperidine-1-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;3-methylpiperidin-4-amine
• SMILES: CC1CN(C(=O)OC(C)(C)C)CCC1=O.CC1CN(C(=O)OC(C)(C)C)CCC1N.CC1CN(c2ccccc2C#N)CCC1N.CC1CNCCC1N.COC(=O)c1cc(NC2CCN(c3ccccc3C#N)CC2C)c(C)cc1C.Cc1cc(C)c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1CC1CCN(c2ccccc2C#N)CC1C.Cc1cc(C)c(C(=O)O)cc1NC1CCN(c2ccccc2C#N)CC1C
• InChI: InChI=1S/C33H39N5O3S.C23H27N3O2.C22H25N3O2.C13H17N3.C11H22N2O2.C11H19NO3.C6H14N2/c1-23-18-24(2)29(33(39)37-16-14-36(15-17-37)31-10-6-7-11-32(31)42(35,40)41)20-28(23)19-26-12-13-38(22-25(26)3)30-9-5-4-8-27(30)21-34;1-15-11-16(2)21(12-19(15)23(27)28-4)25-20-9-10-26(14-17(20)3)22-8-6-5-7-18(22)13-24;1-14-10-15(2)20(11-18(14)22(26)27)24-19-8-9-25(13-16(19)3)21-7-5-4-6-17(21)12-23;1-10-9-16(7-6-12(10)15)13-5-3-2-4-11(13)8-14;1-8-7-13(6-5-9(8)12)10(14)15-11(2,3)4;1-8-7-12(6-5-9(8)13)10(14)15-11(2,3)4;1-5-4-8-3-2-6(5)7/h4-11,18,20,25-26H,12-17,19,22H2,1-3H3,(H2,35,40,41);5-8,11-12,17,20,25H,9-10,14H2,1-4H3;4-7,10-11,16,19,24H,8-9,13H2,1-3H3,(H,26,27);2-5,10,12H,6-7,9,15H2,1H3;8-9H,5-7,12H2,1-4H3;8H,5-7H2,1-4H3;5-6,8H,2-4,7H2,1H3
• InChIKey: KZEIXZYLTGTZOA-UHFFFAOYSA-N
• XLogP: 18.08
• TPSA: 445.73 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2083.80
LogP ≤ 5	18.08
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3-methylpiperidine-1-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;3-methylpiperidin-4-amine?

The IUPAC name of 2-(4-amino-3-methylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3-methylpiperidine-1-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;3-methylpiperidin-4-amine (CID 159283207) is 2-(4-amino-3-methylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3-methylpiperidine-1-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;3-methylpiperidin-4-amine.

What is the SMILES notation for 2-(4-amino-3-methylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3-methylpiperidine-1-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;3-methylpiperidin-4-amine?

The canonical SMILES for 2-(4-amino-3-methylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3-methylpiperidine-1-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;3-methylpiperidin-4-amine is CC1CN(C(=O)OC(C)(C)C)CCC1=O.CC1CN(C(=O)OC(C)(C)C)CCC1N.CC1CN(c2ccccc2C#N)CCC1N.CC1CNCCC1N.COC(=O)c1cc(NC2CCN(c3ccccc3C#N)CC2C)c(C)cc1C.Cc1cc(C)c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1CC1CCN(c2ccccc2C#N)CC1C.Cc1cc(C)c(C(=O)O)cc1NC1CCN(c2ccccc2C#N)CC1C.

What is the InChIKey of 2-(4-amino-3-methylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3-methylpiperidine-1-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;3-methylpiperidin-4-amine?

The InChIKey is KZEIXZYLTGTZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5O3S.C23H27N3O2.C22H25N3O2.C13H17N3.C11H22N2O2.C11H19NO3.C6H14N2/c1-23-18-24(2)29(33(39)37-16-14-36(15-17-37)31-10-6-7-11-32(31)42(35,40)41)20-28(23)19-26-12-13-38(22-25(26)3)30-9-5-4-8-27(30)21-34;1-15-11-16(2)21(12-19(15)23(27)28-4)25-20-9-10-26(14-17(20)3)22-8-6-5-7-18(22)13-24;1-14-10-15(2)20(11-18(14)22(26)27)24-19-8-9-25(13-16(19)3)21-7-5-4-6-17(21)12-23;1-10-9-16(7-6-12(10)15)13-5-3-2-4-11(13)8-14;1-8-7-13(6-5-9(8)12)10(14)15-11(2,3)4;1-8-7-12(6-5-9(8)13)10(14)15-11(2,3)4;1-5-4-8-3-2-6(5)7/h4-11,18,20,25-26H,12-17,19,22H2,1-3H3,(H2,35,40,41);5-8,11-12,17,20,25H,9-10,14H2,1-4H3;4-7,10-11,16,19,24H,8-9,13H2,1-3H3,(H,26,27);2-5,10,12H,6-7,9,15H2,1H3;8-9H,5-7,12H2,1-4H3;8H,5-7H2,1-4H3;5-6,8H,2-4,7H2,1H3.

What are the key properties of 2-(4-amino-3-methylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3-methylpiperidine-1-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;3-methylpiperidin-4-amine?

2-(4-amino-3-methylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3-methylpiperidine-1-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;3-methylpiperidin-4-amine has a molecular weight of 2083.80 g/mol, XLogP of 18.08, 15 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-amino-3-methylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3-methylpiperidine-1-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;3-methylpiperidin-4-amine is sourced from PubChem (CID 159283207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).