4-[4-(4-chlorophenyl)-1,4-dihydroxypiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-1,4-dimethylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-methoxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide

C121H146Cl4N8O8+4 — CID 123364543

About 4-[4-(4-chlorophenyl)-1,4-dihydroxypiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-1,4-dimethylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-methoxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide

4-[4-(4-chlorophenyl)-1,4-dihydroxypiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-1,4-dimethylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-methoxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide (PubChem CID 123364543) has the molecular formula C121H146Cl4N8O8+4 and a molecular weight of 1982.36 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-1,4-dihydroxypiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-1,4-dimethylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-methoxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide.

Molecular Properties

• Compound Name: 4-[4-(4-chlorophenyl)-1,4-dihydroxypiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-1,4-dimethylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-methoxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
• PubChem CID: 123364543
• Molecular Formula: C121H146Cl4N8O8+4
• Molecular Weight: 1982.36 g/mol
• Exact Mass: 1979.00
• IUPAC Name: 4-[4-(4-chlorophenyl)-1,4-dihydroxypiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-1,4-dimethylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-methoxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
• SMILES: CN(C)C(=O)C(CC[N+]1(C)CCC(C)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.CN(C)C(=O)C(CC[N+]1(C)CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.CN(C)C(=O)C(CC[N+]1(O)CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.COC1(c2ccc(Cl)cc2)CC[N+](C)(CCC(C(=O)N(C)C)(c2ccccc2)c2ccccc2)CC1
• InChI: InChI=1S/C31H38ClN2O2.C31H38ClN2O.C30H36ClN2O2.C29H34ClN2O3/c1-33(2)29(35)31(26-11-7-5-8-12-26,27-13-9-6-10-14-27)21-24-34(3)22-19-30(36-4,20-23-34)25-15-17-28(32)18-16-25;1-30(25-15-17-28(32)18-16-25)19-22-34(4,23-20-30)24-21-31(29(35)33(2)3,26-11-7-5-8-12-26)27-13-9-6-10-14-27;1-32(2)28(34)30(25-10-6-4-7-11-25,26-12-8-5-9-13-26)20-23-33(3)21-18-29(35,19-22-33)24-14-16-27(31)17-15-24;1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32(35)20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h5-18H,19-24H2,1-4H3;5-18H,19-24H2,1-4H3;4-17,35H,18-23H2,1-3H3;3-16,34-35H,17-22H2,1-2H3/q4*+1
• InChIKey: YWDGKAZFNYDQSJ-UHFFFAOYSA-N
• XLogP: 22.41
• TPSA: 151.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 29
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1982.36
LogP ≤ 5	22.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-1,4-dihydroxypiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-1,4-dimethylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-methoxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide?

The IUPAC name of 4-[4-(4-chlorophenyl)-1,4-dihydroxypiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-1,4-dimethylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-methoxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide (CID 123364543) is 4-[4-(4-chlorophenyl)-1,4-dihydroxypiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-1,4-dimethylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-methoxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide.

What is the SMILES notation for 4-[4-(4-chlorophenyl)-1,4-dihydroxypiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-1,4-dimethylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-methoxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide?

The canonical SMILES for 4-[4-(4-chlorophenyl)-1,4-dihydroxypiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-1,4-dimethylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-methoxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide is CN(C)C(=O)C(CC[N+]1(C)CCC(C)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.CN(C)C(=O)C(CC[N+]1(C)CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.CN(C)C(=O)C(CC[N+]1(O)CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.COC1(c2ccc(Cl)cc2)CC[N+](C)(CCC(C(=O)N(C)C)(c2ccccc2)c2ccccc2)CC1.

What is the InChIKey of 4-[4-(4-chlorophenyl)-1,4-dihydroxypiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-1,4-dimethylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-methoxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide?

The InChIKey is YWDGKAZFNYDQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38ClN2O2.C31H38ClN2O.C30H36ClN2O2.C29H34ClN2O3/c1-33(2)29(35)31(26-11-7-5-8-12-26,27-13-9-6-10-14-27)21-24-34(3)22-19-30(36-4,20-23-34)25-15-17-28(32)18-16-25;1-30(25-15-17-28(32)18-16-25)19-22-34(4,23-20-30)24-21-31(29(35)33(2)3,26-11-7-5-8-12-26)27-13-9-6-10-14-27;1-32(2)28(34)30(25-10-6-4-7-11-25,26-12-8-5-9-13-26)20-23-33(3)21-18-29(35,19-22-33)24-14-16-27(31)17-15-24;1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32(35)20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h5-18H,19-24H2,1-4H3;5-18H,19-24H2,1-4H3;4-17,35H,18-23H2,1-3H3;3-16,34-35H,17-22H2,1-2H3/q4*+1.

What are the key properties of 4-[4-(4-chlorophenyl)-1,4-dihydroxypiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-1,4-dimethylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-methoxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide?

4-[4-(4-chlorophenyl)-1,4-dihydroxypiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-1,4-dimethylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-methoxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide has a molecular weight of 1982.36 g/mol, XLogP of 22.41, 29 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4-chlorophenyl)-1,4-dihydroxypiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-1,4-dimethylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-methoxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide is sourced from PubChem (CID 123364543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).