2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,4-dimethylphenyl]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;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;1-(2-isocyanophenyl)piperidin-4-amine;2-piperazin-1-ylbenzonitrile

C147H163Br3N24O4 — CID 161170240

About 2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,4-dimethylphenyl]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;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;1-(2-isocyanophenyl)piperidin-4-amine;2-piperazin-1-ylbenzonitrile

2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,4-dimethylphenyl]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;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;1-(2-isocyanophenyl)piperidin-4-amine;2-piperazin-1-ylbenzonitrile (PubChem CID 161170240) has the molecular formula C147H163Br3N24O4 and a molecular weight of 2569.80 g/mol. Its IUPAC name is 2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,4-dimethylphenyl]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;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;1-(2-isocyanophenyl)piperidin-4-amine;2-piperazin-1-ylbenzonitrile.

Molecular Properties

• Compound Name: 2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,4-dimethylphenyl]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;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;1-(2-isocyanophenyl)piperidin-4-amine;2-piperazin-1-ylbenzonitrile
• PubChem CID: 161170240
• Molecular Formula: C147H163Br3N24O4
• Molecular Weight: 2569.80 g/mol
• Exact Mass: 2565.08
• IUPAC Name: 2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,4-dimethylphenyl]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;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;1-(2-isocyanophenyl)piperidin-4-amine;2-piperazin-1-ylbenzonitrile
• SMILES: C=Cc1cc(CC2CCN(c3ccccc3C#N)CC2)c(C)nc1C.Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1CC1CCN(c2ccccc2C#N)CC1.Cc1nc(C)c(Br)cc1Br.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#Cc1ccccc1N1CCNCC1.[C-]#[N+]c1ccccc1N1CCC(N)CC1
• InChI: InChI=1S/C33H35N5O.C22H25N3.C21H23N3O2.C21H23N3O.C20H22BrN3.C12H15N3.C11H13N3.C7H7Br2N/c1-24-19-25(2)30(33(39)38-17-15-37(16-18-38)32-10-6-4-8-28(32)23-35)21-29(24)20-26-11-13-36(14-12-26)31-9-5-3-7-27(31)22-34;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;1-14-11-4-2-3-5-12(11)15-8-6-10(13)7-9-15;12-9-10-3-1-2-4-11(10)14-7-5-13-6-8-14;1-4-6(8)3-7(9)5(2)10-4/h3-10,19,21,26H,11-18,20H2,1-2H3;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;2-5,10H,6-9,13H2;1-4,13H,5-8H2;3H,1-2H3
• InChIKey: URBULSRXCJXUCH-UHFFFAOYSA-N
• XLogP: 28.86
• TPSA: 373.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2569.80
LogP ≤ 5	28.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,4-dimethylphenyl]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;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;1-(2-isocyanophenyl)piperidin-4-amine;2-piperazin-1-ylbenzonitrile?

The IUPAC name of 2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,4-dimethylphenyl]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;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;1-(2-isocyanophenyl)piperidin-4-amine;2-piperazin-1-ylbenzonitrile (CID 161170240) is 2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,4-dimethylphenyl]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;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;1-(2-isocyanophenyl)piperidin-4-amine;2-piperazin-1-ylbenzonitrile.

What is the SMILES notation for 2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,4-dimethylphenyl]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;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;1-(2-isocyanophenyl)piperidin-4-amine;2-piperazin-1-ylbenzonitrile?

The canonical SMILES for 2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,4-dimethylphenyl]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;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;1-(2-isocyanophenyl)piperidin-4-amine;2-piperazin-1-ylbenzonitrile is C=Cc1cc(CC2CCN(c3ccccc3C#N)CC2)c(C)nc1C.Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1CC1CCN(c2ccccc2C#N)CC1.Cc1nc(C)c(Br)cc1Br.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#Cc1ccccc1N1CCNCC1.[C-]#[N+]c1ccccc1N1CCC(N)CC1.

What is the InChIKey of 2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,4-dimethylphenyl]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;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;1-(2-isocyanophenyl)piperidin-4-amine;2-piperazin-1-ylbenzonitrile?

The InChIKey is URBULSRXCJXUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N5O.C22H25N3.C21H23N3O2.C21H23N3O.C20H22BrN3.C12H15N3.C11H13N3.C7H7Br2N/c1-24-19-25(2)30(33(39)38-17-15-37(16-18-38)32-10-6-4-8-28(32)23-35)21-29(24)20-26-11-13-36(14-12-26)31-9-5-3-7-27(31)22-34;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;1-14-11-4-2-3-5-12(11)15-8-6-10(13)7-9-15;12-9-10-3-1-2-4-11(10)14-7-5-13-6-8-14;1-4-6(8)3-7(9)5(2)10-4/h3-10,19,21,26H,11-18,20H2,1-2H3;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;2-5,10H,6-9,13H2;1-4,13H,5-8H2;3H,1-2H3.

What are the key properties of 2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,4-dimethylphenyl]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;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;1-(2-isocyanophenyl)piperidin-4-amine;2-piperazin-1-ylbenzonitrile?

2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,4-dimethylphenyl]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;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;1-(2-isocyanophenyl)piperidin-4-amine;2-piperazin-1-ylbenzonitrile has a molecular weight of 2569.80 g/mol, XLogP of 28.86, 22 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,4-dimethylphenyl]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;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;1-(2-isocyanophenyl)piperidin-4-amine;2-piperazin-1-ylbenzonitrile is sourced from PubChem (CID 161170240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).