potassium;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;2-(4-chlorophenyl)ethanol;2-(4-chlorophenyl)ethyl methanesulfonate;N,N-diethylethanamine;methanesulfonyl chloride;iodide

C66H75Cl8IKN7O6S2 — CID 159758478

About potassium;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;2-(4-chlorophenyl)ethanol;2-(4-chlorophenyl)ethyl methanesulfonate;N,N-diethylethanamine;methanesulfonyl chloride;iodide

potassium;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;2-(4-chlorophenyl)ethanol;2-(4-chlorophenyl)ethyl methanesulfonate;N,N-diethylethanamine;methanesulfonyl chloride;iodide (PubChem CID 159758478) has the molecular formula C66H75Cl8IKN7O6S2 and a molecular weight of 1576.13 g/mol. Its IUPAC name is potassium;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;2-(4-chlorophenyl)ethanol;2-(4-chlorophenyl)ethyl methanesulfonate;N,N-diethylethanamine;methanesulfonyl chloride;iodide.

Molecular Properties

• Compound Name: potassium;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;2-(4-chlorophenyl)ethanol;2-(4-chlorophenyl)ethyl methanesulfonate;N,N-diethylethanamine;methanesulfonyl chloride;iodide
• PubChem CID: 159758478
• Molecular Formula: C66H75Cl8IKN7O6S2
• Molecular Weight: 1576.13 g/mol
• Exact Mass: 1571.14
• IUPAC Name: potassium;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;2-(4-chlorophenyl)ethanol;2-(4-chlorophenyl)ethyl methanesulfonate;N,N-diethylethanamine;methanesulfonyl chloride;iodide
• SMILES: CCN(CC)CC.CS(=O)(=O)Cl.CS(=O)(=O)OCCc1ccc(Cl)cc1.N#Cc1ccc(N2CCN(CCc3ccc(Cl)cc3)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.N#Cc1ccc(N2CCNC[C@H]2c2ccc(Cl)cc2)c(Cl)c1.OCCc1ccc(Cl)cc1.[I-].[K+]
• InChI: InChI=1S/C25H22Cl3N3.C17H15Cl2N3.C9H11ClO3S.C8H9ClO.C6H15N.CH3ClO2S.HI.K/c26-21-6-1-18(2-7-21)11-12-30-13-14-31(24-10-3-19(16-29)15-23(24)28)25(17-30)20-4-8-22(27)9-5-20;18-14-4-2-13(3-5-14)17-11-21-7-8-22(17)16-6-1-12(10-20)9-15(16)19;1-14(11,12)13-7-6-8-2-4-9(10)5-3-8;9-8-3-1-7(2-4-8)5-6-10;1-4-7(5-2)6-3;1-5(2,3)4;;/h1-10,15,25H,11-14,17H2;1-6,9,17,21H,7-8,11H2;2-5H,6-7H2,1H3;1-4,10H,5-6H2;4-6H2,1-3H3;1H3;1H;/q;;;;;;;+1/p-1/t25-;17-;;;;;;/m00....../s1
• InChIKey: NEOMHZMOHNPESR-RXLOGTDJSA-M
• XLogP: 9.91
• TPSA: 170.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1576.13
LogP ≤ 5	9.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;2-(4-chlorophenyl)ethanol;2-(4-chlorophenyl)ethyl methanesulfonate;N,N-diethylethanamine;methanesulfonyl chloride;iodide?

The IUPAC name of potassium;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;2-(4-chlorophenyl)ethanol;2-(4-chlorophenyl)ethyl methanesulfonate;N,N-diethylethanamine;methanesulfonyl chloride;iodide (CID 159758478) is potassium;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;2-(4-chlorophenyl)ethanol;2-(4-chlorophenyl)ethyl methanesulfonate;N,N-diethylethanamine;methanesulfonyl chloride;iodide.

What is the SMILES notation for potassium;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;2-(4-chlorophenyl)ethanol;2-(4-chlorophenyl)ethyl methanesulfonate;N,N-diethylethanamine;methanesulfonyl chloride;iodide?

The canonical SMILES for potassium;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;2-(4-chlorophenyl)ethanol;2-(4-chlorophenyl)ethyl methanesulfonate;N,N-diethylethanamine;methanesulfonyl chloride;iodide is CCN(CC)CC.CS(=O)(=O)Cl.CS(=O)(=O)OCCc1ccc(Cl)cc1.N#Cc1ccc(N2CCN(CCc3ccc(Cl)cc3)C[C@H]2c2ccc(Cl)cc2)c(Cl)c1.N#Cc1ccc(N2CCNC[C@H]2c2ccc(Cl)cc2)c(Cl)c1.OCCc1ccc(Cl)cc1.[I-].[K+].

What is the InChIKey of potassium;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;2-(4-chlorophenyl)ethanol;2-(4-chlorophenyl)ethyl methanesulfonate;N,N-diethylethanamine;methanesulfonyl chloride;iodide?

The InChIKey is NEOMHZMOHNPESR-RXLOGTDJSA-M. The full InChI is InChI=1S/C25H22Cl3N3.C17H15Cl2N3.C9H11ClO3S.C8H9ClO.C6H15N.CH3ClO2S.HI.K/c26-21-6-1-18(2-7-21)11-12-30-13-14-31(24-10-3-19(16-29)15-23(24)28)25(17-30)20-4-8-22(27)9-5-20;18-14-4-2-13(3-5-14)17-11-21-7-8-22(17)16-6-1-12(10-20)9-15(16)19;1-14(11,12)13-7-6-8-2-4-9(10)5-3-8;9-8-3-1-7(2-4-8)5-6-10;1-4-7(5-2)6-3;1-5(2,3)4;;/h1-10,15,25H,11-14,17H2;1-6,9,17,21H,7-8,11H2;2-5H,6-7H2,1H3;1-4,10H,5-6H2;4-6H2,1-3H3;1H3;1H;/q;;;;;;;+1/p-1/t25-;17-;;;;;;/m00....../s1.

What are the key properties of potassium;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;2-(4-chlorophenyl)ethanol;2-(4-chlorophenyl)ethyl methanesulfonate;N,N-diethylethanamine;methanesulfonyl chloride;iodide?

potassium;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;2-(4-chlorophenyl)ethanol;2-(4-chlorophenyl)ethyl methanesulfonate;N,N-diethylethanamine;methanesulfonyl chloride;iodide has a molecular weight of 1576.13 g/mol, XLogP of 9.91, 16 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;3-chloro-4-[(2R)-2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]benzonitrile;3-chloro-4-[(2R)-2-(4-chlorophenyl)piperazin-1-yl]benzonitrile;2-(4-chlorophenyl)ethanol;2-(4-chlorophenyl)ethyl methanesulfonate;N,N-diethylethanamine;methanesulfonyl chloride;iodide is sourced from PubChem (CID 159758478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).