2-aminoethanol;(2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;2-[[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]ethanol;4-[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]morpholine;oxane

C79H88BrCl9N12O4 — CID 159007993

About 2-aminoethanol;(2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;2-[[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]ethanol;4-[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]morpholine;oxane

2-aminoethanol;(2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;2-[[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]ethanol;4-[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]morpholine;oxane (PubChem CID 159007993) has the molecular formula C79H88BrCl9N12O4 and a molecular weight of 1668.63 g/mol. Its IUPAC name is 2-aminoethanol;(2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;2-[[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]ethanol;4-[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]morpholine;oxane.

Molecular Properties

• Compound Name: 2-aminoethanol;(2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;2-[[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]ethanol;4-[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]morpholine;oxane
• PubChem CID: 159007993
• Molecular Formula: C79H88BrCl9N12O4
• Molecular Weight: 1668.63 g/mol
• Exact Mass: 1662.34
• IUPAC Name: 2-aminoethanol;(2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;2-[[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]ethanol;4-[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]morpholine;oxane
• SMILES: C1CCOCC1.Clc1ccc([C@@H]2CN(Cc3ccc(Br)nc3)CCN2c2ccc(Cl)cc2Cl)cc1.Clc1ccc([C@@H]2CN(Cc3ccc(N4CCOCC4)nc3)CCN2c2ccc(Cl)cc2Cl)cc1.NCCO.OCCNc1ccc(CN2CCN(c3ccc(Cl)cc3Cl)[C@H](c3ccc(Cl)cc3)C2)cn1
• InChI: InChI=1S/C26H27Cl3N4O.C24H25Cl3N4O.C22H19BrCl3N3.C5H10O.C2H7NO/c27-21-4-2-20(3-5-21)25-18-31(9-10-33(25)24-7-6-22(28)15-23(24)29)17-19-1-8-26(30-16-19)32-11-13-34-14-12-32;25-19-4-2-18(3-5-19)23-16-30(15-17-1-8-24(29-14-17)28-9-12-32)10-11-31(23)22-7-6-20(26)13-21(22)27;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;1-2-4-6-5-3-1;3-1-2-4/h1-8,15-16,25H,9-14,17-18H2;1-8,13-14,23,32H,9-12,15-16H2,(H,28,29);1-8,11-12,21H,9-10,13-14H2;1-5H2;4H,1-3H2/t25-;23-;21-;;/m000../s1
• InChIKey: JSDTWHQFPKGJKL-UJVQTENSSA-N
• XLogP: 18.44
• TPSA: 158.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1668.63
LogP ≤ 5	18.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;(2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;2-[[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]ethanol;4-[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]morpholine;oxane?

The IUPAC name of 2-aminoethanol;(2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;2-[[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]ethanol;4-[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]morpholine;oxane (CID 159007993) is 2-aminoethanol;(2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;2-[[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]ethanol;4-[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]morpholine;oxane.

What is the SMILES notation for 2-aminoethanol;(2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;2-[[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]ethanol;4-[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]morpholine;oxane?

The canonical SMILES for 2-aminoethanol;(2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;2-[[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]ethanol;4-[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]morpholine;oxane is C1CCOCC1.Clc1ccc([C@@H]2CN(Cc3ccc(Br)nc3)CCN2c2ccc(Cl)cc2Cl)cc1.Clc1ccc([C@@H]2CN(Cc3ccc(N4CCOCC4)nc3)CCN2c2ccc(Cl)cc2Cl)cc1.NCCO.OCCNc1ccc(CN2CCN(c3ccc(Cl)cc3Cl)[C@H](c3ccc(Cl)cc3)C2)cn1.

What is the InChIKey of 2-aminoethanol;(2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;2-[[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]ethanol;4-[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]morpholine;oxane?

The InChIKey is JSDTWHQFPKGJKL-UJVQTENSSA-N. The full InChI is InChI=1S/C26H27Cl3N4O.C24H25Cl3N4O.C22H19BrCl3N3.C5H10O.C2H7NO/c27-21-4-2-20(3-5-21)25-18-31(9-10-33(25)24-7-6-22(28)15-23(24)29)17-19-1-8-26(30-16-19)32-11-13-34-14-12-32;25-19-4-2-18(3-5-19)23-16-30(15-17-1-8-24(29-14-17)28-9-12-32)10-11-31(23)22-7-6-20(26)13-21(22)27;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;1-2-4-6-5-3-1;3-1-2-4/h1-8,15-16,25H,9-14,17-18H2;1-8,13-14,23,32H,9-12,15-16H2,(H,28,29);1-8,11-12,21H,9-10,13-14H2;1-5H2;4H,1-3H2/t25-;23-;21-;;/m000../s1.

What are the key properties of 2-aminoethanol;(2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;2-[[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]ethanol;4-[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]morpholine;oxane?

2-aminoethanol;(2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;2-[[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]ethanol;4-[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]morpholine;oxane has a molecular weight of 1668.63 g/mol, XLogP of 18.44, 17 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoethanol;(2R)-4-[(6-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine;2-[[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]ethanol;4-[5-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]morpholine;oxane is sourced from PubChem (CID 159007993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).