2-bromopyridine;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carboxylate;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;(2S)-2-methyl-1-pyridin-2-ylpiperazine

C95H124BrN15O7 — CID 159239693

About 2-bromopyridine;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carboxylate;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;(2S)-2-methyl-1-pyridin-2-ylpiperazine

2-bromopyridine;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carboxylate;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;(2S)-2-methyl-1-pyridin-2-ylpiperazine (PubChem CID 159239693) has the molecular formula C95H124BrN15O7 and a molecular weight of 1668.04 g/mol. Its IUPAC name is 2-bromopyridine;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carboxylate;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;(2S)-2-methyl-1-pyridin-2-ylpiperazine.

Molecular Properties

• Compound Name: 2-bromopyridine;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carboxylate;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;(2S)-2-methyl-1-pyridin-2-ylpiperazine
• PubChem CID: 159239693
• Molecular Formula: C95H124BrN15O7
• Molecular Weight: 1668.04 g/mol
• Exact Mass: 1665.90
• IUPAC Name: 2-bromopyridine;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carboxylate;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;(2S)-2-methyl-1-pyridin-2-ylpiperazine
• SMILES: Brc1ccccn1.C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccccn1.C[C@H]1CNCCN1c1ccccn1.Cc1cc(C)c(C(=O)N2CCN(c3ccccn3)[C@@H](C)C2)cc1CC1CCN(c2ccccc2C#N)CC1.Cc1cc(C)c(C(=O)O)cc1CC1CCN(c2ccccc2C#N)CC1
• InChI: InChI=1S/C32H37N5O.C22H24N2O2.C15H23N3O2.C11H21NO2.C10H15N3.C5H4BrN/c1-23-18-24(2)29(32(38)36-16-17-37(25(3)22-36)31-10-6-7-13-34-31)20-28(23)19-26-11-14-35(15-12-26)30-9-5-4-8-27(30)21-33;1-15-11-16(2)20(22(25)26)13-19(15)12-17-7-9-24(10-8-17)21-6-4-3-5-18(21)14-23;1-12-11-17(14(19)20-15(2,3)4)9-10-18(12)13-7-5-6-8-16-13;1-9-6-5-7-12(8-9)10(13)14-11(2,3)4;1-9-8-11-6-7-13(9)10-4-2-3-5-12-10;6-5-3-1-2-4-7-5/h4-10,13,18,20,25-26H,11-12,14-17,19,22H2,1-3H3;3-6,11,13,17H,7-10,12H2,1-2H3,(H,25,26);5-8,12H,9-11H2,1-4H3;9H,5-8H2,1-4H3;2-5,9,11H,6-8H2,1H3;1-4H/t25-;;12-;2*9-;/m0.010./s1
• InChIKey: KTXPXPGHPIKUCP-VYNLFVCESA-N
• XLogP: 17.62
• TPSA: 244.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1668.04
LogP ≤ 5	17.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromopyridine;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carboxylate;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;(2S)-2-methyl-1-pyridin-2-ylpiperazine?

The IUPAC name of 2-bromopyridine;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carboxylate;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;(2S)-2-methyl-1-pyridin-2-ylpiperazine (CID 159239693) is 2-bromopyridine;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carboxylate;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;(2S)-2-methyl-1-pyridin-2-ylpiperazine.

What is the SMILES notation for 2-bromopyridine;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carboxylate;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;(2S)-2-methyl-1-pyridin-2-ylpiperazine?

The canonical SMILES for 2-bromopyridine;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carboxylate;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;(2S)-2-methyl-1-pyridin-2-ylpiperazine is Brc1ccccn1.C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccccn1.C[C@H]1CNCCN1c1ccccn1.Cc1cc(C)c(C(=O)N2CCN(c3ccccn3)[C@@H](C)C2)cc1CC1CCN(c2ccccc2C#N)CC1.Cc1cc(C)c(C(=O)O)cc1CC1CCN(c2ccccc2C#N)CC1.

What is the InChIKey of 2-bromopyridine;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carboxylate;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;(2S)-2-methyl-1-pyridin-2-ylpiperazine?

The InChIKey is KTXPXPGHPIKUCP-VYNLFVCESA-N. The full InChI is InChI=1S/C32H37N5O.C22H24N2O2.C15H23N3O2.C11H21NO2.C10H15N3.C5H4BrN/c1-23-18-24(2)29(32(38)36-16-17-37(25(3)22-36)31-10-6-7-13-34-31)20-28(23)19-26-11-14-35(15-12-26)30-9-5-4-8-27(30)21-33;1-15-11-16(2)20(22(25)26)13-19(15)12-17-7-9-24(10-8-17)21-6-4-3-5-18(21)14-23;1-12-11-17(14(19)20-15(2,3)4)9-10-18(12)13-7-5-6-8-16-13;1-9-6-5-7-12(8-9)10(13)14-11(2,3)4;1-9-8-11-6-7-13(9)10-4-2-3-5-12-10;6-5-3-1-2-4-7-5/h4-10,13,18,20,25-26H,11-12,14-17,19,22H2,1-3H3;3-6,11,13,17H,7-10,12H2,1-2H3,(H,25,26);5-8,12H,9-11H2,1-4H3;9H,5-8H2,1-4H3;2-5,9,11H,6-8H2,1H3;1-4H/t25-;;12-;2*9-;/m0.010./s1.

What are the key properties of 2-bromopyridine;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carboxylate;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;(2S)-2-methyl-1-pyridin-2-ylpiperazine?

2-bromopyridine;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carboxylate;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;(2S)-2-methyl-1-pyridin-2-ylpiperazine has a molecular weight of 1668.04 g/mol, XLogP of 17.62, 11 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromopyridine;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;tert-butyl (3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carboxylate;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;2-[4-[[2,4-dimethyl-5-[(3S)-3-methyl-4-pyridin-2-ylpiperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile;(2S)-2-methyl-1-pyridin-2-ylpiperazine is sourced from PubChem (CID 159239693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).