(2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)pyridin-2-amine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;2-methylpropan-1-amine;propan-2-amine

C80H95BrCl9N13 — CID 157131729

About (2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)pyridin-2-amine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;2-methylpropan-1-amine;propan-2-amine

(2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)pyridin-2-amine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;2-methylpropan-1-amine;propan-2-amine (PubChem CID 157131729) has the molecular formula C80H95BrCl9N13 and a molecular weight of 1637.71 g/mol. Its IUPAC name is (2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)pyridin-2-amine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;2-methylpropan-1-amine;propan-2-amine.

Molecular Properties

• Compound Name: (2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)pyridin-2-amine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;2-methylpropan-1-amine;propan-2-amine
• PubChem CID: 157131729
• Molecular Formula: C80H95BrCl9N13
• Molecular Weight: 1637.71 g/mol
• Exact Mass: 1631.42
• IUPAC Name: (2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)pyridin-2-amine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;2-methylpropan-1-amine;propan-2-amine
• SMILES: CC(C)CN.CC(C)CNc1ccc(CN2CCN(c3ccc(Cl)cc3Cl)[C@H](c3ccc(Cl)cc3)C2)cn1.CC(C)N.CC(C)Nc1ccc(CN2CCN(c3ccc(Cl)cc3Cl)[C@H](c3ccc(Cl)cc3)C2)cn1.Clc1ccc([C@@H]2CN(Cc3ccc(Br)nc3)CCN2c2ccc(Cl)cc2Cl)cc1
• InChI: InChI=1S/C26H29Cl3N4.C25H27Cl3N4.C22H19BrCl3N3.C4H11N.C3H9N/c1-18(2)14-30-26-10-3-19(15-31-26)16-32-11-12-33(24-9-8-22(28)13-23(24)29)25(17-32)20-4-6-21(27)7-5-20;1-17(2)30-25-10-3-18(14-29-25)15-31-11-12-32(23-9-8-21(27)13-22(23)28)24(16-31)19-4-6-20(26)7-5-19;23-22-8-1-15(12-27-22)13-28-9-10-29(20-7-6-18(25)11-19(20)26)21(14-28)16-2-4-17(24)5-3-16;1-4(2)3-5;1-3(2)4/h3-10,13,15,18,25H,11-12,14,16-17H2,1-2H3,(H,30,31);3-10,13-14,17,24H,11-12,15-16H2,1-2H3,(H,29,30);1-8,11-12,21H,9-10,13-14H2;4H,3,5H2,1-2H3;3H,4H2,1-2H3/t25-;24-;21-;;/m000../s1
• InChIKey: AJDRJWDPAZBEMU-OKYSZBOXSA-N
• XLogP: 21.92
• TPSA: 134.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1637.71
LogP ≤ 5	21.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)pyridin-2-amine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;2-methylpropan-1-amine;propan-2-amine?

The IUPAC name of (2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)pyridin-2-amine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;2-methylpropan-1-amine;propan-2-amine (CID 157131729) is (2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)pyridin-2-amine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;2-methylpropan-1-amine;propan-2-amine.

What is the SMILES notation for (2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)pyridin-2-amine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;2-methylpropan-1-amine;propan-2-amine?

The canonical SMILES for (2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)pyridin-2-amine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;2-methylpropan-1-amine;propan-2-amine is CC(C)CN.CC(C)CNc1ccc(CN2CCN(c3ccc(Cl)cc3Cl)[C@H](c3ccc(Cl)cc3)C2)cn1.CC(C)N.CC(C)Nc1ccc(CN2CCN(c3ccc(Cl)cc3Cl)[C@H](c3ccc(Cl)cc3)C2)cn1.Clc1ccc([C@@H]2CN(Cc3ccc(Br)nc3)CCN2c2ccc(Cl)cc2Cl)cc1.

What is the InChIKey of (2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)pyridin-2-amine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;2-methylpropan-1-amine;propan-2-amine?

The InChIKey is AJDRJWDPAZBEMU-OKYSZBOXSA-N. The full InChI is InChI=1S/C26H29Cl3N4.C25H27Cl3N4.C22H19BrCl3N3.C4H11N.C3H9N/c1-18(2)14-30-26-10-3-19(15-31-26)16-32-11-12-33(24-9-8-22(28)13-23(24)29)25(17-32)20-4-6-21(27)7-5-20;1-17(2)30-25-10-3-18(14-29-25)15-31-11-12-32(23-9-8-21(27)13-22(23)28)24(16-31)19-4-6-20(26)7-5-19;23-22-8-1-15(12-27-22)13-28-9-10-29(20-7-6-18(25)11-19(20)26)21(14-28)16-2-4-17(24)5-3-16;1-4(2)3-5;1-3(2)4/h3-10,13,15,18,25H,11-12,14,16-17H2,1-2H3,(H,30,31);3-10,13-14,17,24H,11-12,15-16H2,1-2H3,(H,29,30);1-8,11-12,21H,9-10,13-14H2;4H,3,5H2,1-2H3;3H,4H2,1-2H3/t25-;24-;21-;;/m000../s1.

What are the key properties of (2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)pyridin-2-amine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;2-methylpropan-1-amine;propan-2-amine?

(2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)pyridin-2-amine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;2-methylpropan-1-amine;propan-2-amine has a molecular weight of 1637.71 g/mol, XLogP of 21.92, 18 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)pyridin-2-amine;5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;2-methylpropan-1-amine;propan-2-amine is sourced from PubChem (CID 157131729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).