2-(4-aminopiperidin-1-yl)benzonitrile;2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carboxylic acid;3,5-dibromo-2,6-dimethylpyridine;2-[4-[(5-ethenyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;(2R)-2-ethyl-1-pyridin-2-ylpiperazine;2-[4-[[5-[(3R)-3-ethyl-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile

C177H206Br3N31O6 — CID 157120738

About 2-(4-aminopiperidin-1-yl)benzonitrile;2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carboxylic acid;3,5-dibromo-2,6-dimethylpyridine;2-[4-[(5-ethenyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;(2R)-2-ethyl-1-pyridin-2-ylpiperazine;2-[4-[[5-[(3R)-3-ethyl-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile

2-(4-aminopiperidin-1-yl)benzonitrile;2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carboxylic acid;3,5-dibromo-2,6-dimethylpyridine;2-[4-[(5-ethenyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;(2R)-2-ethyl-1-pyridin-2-ylpiperazine;2-[4-[[5-[(3R)-3-ethyl-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile (PubChem CID 157120738) has the molecular formula C177H206Br3N31O6 and a molecular weight of 3103.52 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)benzonitrile;2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carboxylic acid;3,5-dibromo-2,6-dimethylpyridine;2-[4-[(5-ethenyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;(2R)-2-ethyl-1-pyridin-2-ylpiperazine;2-[4-[[5-[(3R)-3-ethyl-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile.

Molecular Properties

• Compound Name: 2-(4-aminopiperidin-1-yl)benzonitrile;2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carboxylic acid;3,5-dibromo-2,6-dimethylpyridine;2-[4-[(5-ethenyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;(2R)-2-ethyl-1-pyridin-2-ylpiperazine;2-[4-[[5-[(3R)-3-ethyl-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile
• PubChem CID: 157120738
• Molecular Formula: C177H206Br3N31O6
• Molecular Weight: 3103.52 g/mol
• Exact Mass: 3098.43
• IUPAC Name: 2-(4-aminopiperidin-1-yl)benzonitrile;2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carboxylic acid;3,5-dibromo-2,6-dimethylpyridine;2-[4-[(5-ethenyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;(2R)-2-ethyl-1-pyridin-2-ylpiperazine;2-[4-[[5-[(3R)-3-ethyl-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile
• SMILES: C=Cc1cc(CC2CCN(c3ccccc3C#N)CC2)c(C)nc1C.CC[C@@H]1CN(C(=O)c2cc(CC3CCN(c4ccccc4C#N)CC3)c(C)nc2C)CCN1c1ccccn1.CC[C@@H]1CNCCN1c1ccccn1.Cc1nc(C)c(Br)cc1Br.Cc1nc(C)c(C(=O)N2CCN(c3ccccn3)[C@H](CO)C2)cc1CC1CCN(c2ccccc2C#N)CC1.Cc1nc(C)c(C(=O)O)cc1CC1CCN(c2ccccc2C#N)CC1.Cc1nc(C)c(CC2CCN(c3ccccc3C#N)CC2)cc1Br.Cc1nc(C)c(CC2CCN(c3ccccc3C#N)CC2)cc1C=O.N#Cc1ccccc1N1CCC(N)CC1
• InChI: InChI=1S/C32H38N6O.C31H36N6O2.C22H25N3.C21H23N3O2.C21H23N3O.C20H22BrN3.C12H15N3.C11H17N3.C7H7Br2N/c1-4-28-22-37(17-18-38(28)31-11-7-8-14-34-31)32(39)29-20-27(23(2)35-24(29)3)19-25-12-15-36(16-13-25)30-10-6-5-9-26(30)21-33;1-22-26(17-24-10-13-35(14-11-24)29-8-4-3-7-25(29)19-32)18-28(23(2)34-22)31(39)36-15-16-37(27(20-36)21-38)30-9-5-6-12-33-30;1-4-19-14-21(17(3)24-16(19)2)13-18-9-11-25(12-10-18)22-8-6-5-7-20(22)15-23;1-14-18(12-19(21(25)26)15(2)23-14)11-16-7-9-24(10-8-16)20-6-4-3-5-17(20)13-22;1-15-19(12-20(14-25)16(2)23-15)11-17-7-9-24(10-8-17)21-6-4-3-5-18(21)13-22;1-14-18(12-19(21)15(2)23-14)11-16-7-9-24(10-8-16)20-6-4-3-5-17(20)13-22;13-9-10-3-1-2-4-12(10)15-7-5-11(14)6-8-15;1-2-10-9-12-7-8-14(10)11-5-3-4-6-13-11;1-4-6(8)3-7(9)5(2)10-4/h5-11,14,20,25,28H,4,12-13,15-19,22H2,1-3H3;3-9,12,18,24,27,38H,10-11,13-17,20-21H2,1-2H3;4-8,14,18H,1,9-13H2,2-3H3;3-6,12,16H,7-11H2,1-2H3,(H,25,26);3-6,12,14,17H,7-11H2,1-2H3;3-6,12,16H,7-11H2,1-2H3;1-4,11H,5-8,14H2;3-6,10,12H,2,7-9H2,1H3;3H,1-2H3/t28-;27-;;;;;;10-;/m10.....1./s1
• InChIKey: AHYBQRQGJIBJND-HQVZVKTESA-N
• XLogP: 31.92
• TPSA: 481.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 30
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3103.52
LogP ≤ 5	31.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)benzonitrile;2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carboxylic acid;3,5-dibromo-2,6-dimethylpyridine;2-[4-[(5-ethenyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;(2R)-2-ethyl-1-pyridin-2-ylpiperazine;2-[4-[[5-[(3R)-3-ethyl-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile?

The IUPAC name of 2-(4-aminopiperidin-1-yl)benzonitrile;2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carboxylic acid;3,5-dibromo-2,6-dimethylpyridine;2-[4-[(5-ethenyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;(2R)-2-ethyl-1-pyridin-2-ylpiperazine;2-[4-[[5-[(3R)-3-ethyl-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile (CID 157120738) is 2-(4-aminopiperidin-1-yl)benzonitrile;2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carboxylic acid;3,5-dibromo-2,6-dimethylpyridine;2-[4-[(5-ethenyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;(2R)-2-ethyl-1-pyridin-2-ylpiperazine;2-[4-[[5-[(3R)-3-ethyl-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile.

What is the SMILES notation for 2-(4-aminopiperidin-1-yl)benzonitrile;2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carboxylic acid;3,5-dibromo-2,6-dimethylpyridine;2-[4-[(5-ethenyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;(2R)-2-ethyl-1-pyridin-2-ylpiperazine;2-[4-[[5-[(3R)-3-ethyl-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile?

The canonical SMILES for 2-(4-aminopiperidin-1-yl)benzonitrile;2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carboxylic acid;3,5-dibromo-2,6-dimethylpyridine;2-[4-[(5-ethenyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;(2R)-2-ethyl-1-pyridin-2-ylpiperazine;2-[4-[[5-[(3R)-3-ethyl-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile is C=Cc1cc(CC2CCN(c3ccccc3C#N)CC2)c(C)nc1C.CC[C@@H]1CN(C(=O)c2cc(CC3CCN(c4ccccc4C#N)CC3)c(C)nc2C)CCN1c1ccccn1.CC[C@@H]1CNCCN1c1ccccn1.Cc1nc(C)c(Br)cc1Br.Cc1nc(C)c(C(=O)N2CCN(c3ccccn3)[C@H](CO)C2)cc1CC1CCN(c2ccccc2C#N)CC1.Cc1nc(C)c(C(=O)O)cc1CC1CCN(c2ccccc2C#N)CC1.Cc1nc(C)c(CC2CCN(c3ccccc3C#N)CC2)cc1Br.Cc1nc(C)c(CC2CCN(c3ccccc3C#N)CC2)cc1C=O.N#Cc1ccccc1N1CCC(N)CC1.

What is the InChIKey of 2-(4-aminopiperidin-1-yl)benzonitrile;2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carboxylic acid;3,5-dibromo-2,6-dimethylpyridine;2-[4-[(5-ethenyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;(2R)-2-ethyl-1-pyridin-2-ylpiperazine;2-[4-[[5-[(3R)-3-ethyl-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile?

The InChIKey is AHYBQRQGJIBJND-HQVZVKTESA-N. The full InChI is InChI=1S/C32H38N6O.C31H36N6O2.C22H25N3.C21H23N3O2.C21H23N3O.C20H22BrN3.C12H15N3.C11H17N3.C7H7Br2N/c1-4-28-22-37(17-18-38(28)31-11-7-8-14-34-31)32(39)29-20-27(23(2)35-24(29)3)19-25-12-15-36(16-13-25)30-10-6-5-9-26(30)21-33;1-22-26(17-24-10-13-35(14-11-24)29-8-4-3-7-25(29)19-32)18-28(23(2)34-22)31(39)36-15-16-37(27(20-36)21-38)30-9-5-6-12-33-30;1-4-19-14-21(17(3)24-16(19)2)13-18-9-11-25(12-10-18)22-8-6-5-7-20(22)15-23;1-14-18(12-19(21(25)26)15(2)23-14)11-16-7-9-24(10-8-16)20-6-4-3-5-17(20)13-22;1-15-19(12-20(14-25)16(2)23-15)11-17-7-9-24(10-8-17)21-6-4-3-5-18(21)13-22;1-14-18(12-19(21)15(2)23-14)11-16-7-9-24(10-8-16)20-6-4-3-5-17(20)13-22;13-9-10-3-1-2-4-12(10)15-7-5-11(14)6-8-15;1-2-10-9-12-7-8-14(10)11-5-3-4-6-13-11;1-4-6(8)3-7(9)5(2)10-4/h5-11,14,20,25,28H,4,12-13,15-19,22H2,1-3H3;3-9,12,18,24,27,38H,10-11,13-17,20-21H2,1-2H3;4-8,14,18H,1,9-13H2,2-3H3;3-6,12,16H,7-11H2,1-2H3,(H,25,26);3-6,12,14,17H,7-11H2,1-2H3;3-6,12,16H,7-11H2,1-2H3;1-4,11H,5-8,14H2;3-6,10,12H,2,7-9H2,1H3;3H,1-2H3/t28-;27-;;;;;;10-;/m10.....1./s1.

What are the key properties of 2-(4-aminopiperidin-1-yl)benzonitrile;2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carboxylic acid;3,5-dibromo-2,6-dimethylpyridine;2-[4-[(5-ethenyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;(2R)-2-ethyl-1-pyridin-2-ylpiperazine;2-[4-[[5-[(3R)-3-ethyl-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile?

2-(4-aminopiperidin-1-yl)benzonitrile;2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carboxylic acid;3,5-dibromo-2,6-dimethylpyridine;2-[4-[(5-ethenyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;(2R)-2-ethyl-1-pyridin-2-ylpiperazine;2-[4-[[5-[(3R)-3-ethyl-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile has a molecular weight of 3103.52 g/mol, XLogP of 31.92, 30 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-aminopiperidin-1-yl)benzonitrile;2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carboxylic acid;3,5-dibromo-2,6-dimethylpyridine;2-[4-[(5-ethenyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;(2R)-2-ethyl-1-pyridin-2-ylpiperazine;2-[4-[[5-[(3R)-3-ethyl-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile is sourced from PubChem (CID 157120738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).