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-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile

C114H132Br3N19O3 — CID 158733041

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-formyl-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-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile (PubChem CID 158733041) has the molecular formula C114H132Br3N19O3 and a molecular weight of 2056.15 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-formyl-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-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile
• PubChem CID: 158733041
• Molecular Formula: C114H132Br3N19O3
• Molecular Weight: 2056.15 g/mol
• Exact Mass: 2051.83
• 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-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile
• SMILES: C=Cc1cc(CC2CCN(c3ccccc3C#N)CC2)c(C)nc1C.CC[C@@H]1CNCCN1c1ccccn1.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#Cc1ccccc1N1CCC(N)CC1
• InChI: InChI=1S/C22H25N3.C21H23N3O2.C21H23N3O.C20H22BrN3.C12H15N3.C11H17N3.C7H7Br2N/c1-4-19-14-21(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/h4-8,14,18H,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/t;;;;;10-;/m.....1./s1
• InChIKey: ILIJLIHVJNYQQI-HJQDJBNBSA-N
• XLogP: 23.01
• TPSA: 308.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2056.15
LogP ≤ 5	23.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

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-formyl-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-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile (CID 158733041) 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-formyl-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-formyl-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-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile is C=Cc1cc(CC2CCN(c3ccccc3C#N)CC2)c(C)nc1C.CC[C@@H]1CNCCN1c1ccccn1.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#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-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile?

The InChIKey is ILIJLIHVJNYQQI-HJQDJBNBSA-N. The full InChI is InChI=1S/C22H25N3.C21H23N3O2.C21H23N3O.C20H22BrN3.C12H15N3.C11H17N3.C7H7Br2N/c1-4-19-14-21(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/h4-8,14,18H,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/t;;;;;10-;/m.....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-formyl-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-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile has a molecular weight of 2056.15 g/mol, XLogP of 23.01, 18 rotatable bonds, 3 hydrogen bond donors, and 21 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-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile is sourced from PubChem (CID 158733041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).