4-(4-chlorophenyl)piperidine;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]ethane-1,2-dione;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-hydroxyacetate;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-oxoacetate

C72H77Cl8N5O11 — CID 161237250

About 4-(4-chlorophenyl)piperidine;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]ethane-1,2-dione;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-hydroxyacetate;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-oxoacetate

4-(4-chlorophenyl)piperidine;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]ethane-1,2-dione;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-hydroxyacetate;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-oxoacetate (PubChem CID 161237250) has the molecular formula C72H77Cl8N5O11 and a molecular weight of 1472.06 g/mol. Its IUPAC name is 4-(4-chlorophenyl)piperidine;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]ethane-1,2-dione;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-hydroxyacetate;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-oxoacetate.

Molecular Properties

• Compound Name: 4-(4-chlorophenyl)piperidine;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]ethane-1,2-dione;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-hydroxyacetate;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-oxoacetate
• PubChem CID: 161237250
• Molecular Formula: C72H77Cl8N5O11
• Molecular Weight: 1472.06 g/mol
• Exact Mass: 1467.31
• IUPAC Name: 4-(4-chlorophenyl)piperidine;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]ethane-1,2-dione;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-hydroxyacetate;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-oxoacetate
• SMILES: COC(=O)C(=O)C1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1.COC(=O)C(O)C1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1.Clc1ccc(C2CCNCC2)cc1.O=C(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1
• InChI: InChI=1S/C27H27Cl3N2O3.C17H19Cl2NO4.C17H17Cl2NO4.C11H14ClN/c28-22-5-3-19(4-6-22)20-9-15-32(16-10-20)27(35)26(34)21-11-13-31(14-12-21)25(33)8-2-18-1-7-23(29)24(30)17-18;2*1-24-17(23)16(22)12-6-8-20(9-7-12)15(21)5-3-11-2-4-13(18)14(19)10-11;12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-8,17,20-21H,9-16H2;2-5,10,12,16,22H,6-9H2,1H3;2-5,10,12H,6-9H2,1H3;1-4,10,13H,5-8H2/b8-2+;2*5-3+
• InChIKey: UZNQQTAWDRFKLY-XVKSWBPNSA-N
• XLogP: 14.45
• TPSA: 200.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1472.06
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)piperidine;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]ethane-1,2-dione;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-hydroxyacetate;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-oxoacetate?

The IUPAC name of 4-(4-chlorophenyl)piperidine;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]ethane-1,2-dione;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-hydroxyacetate;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-oxoacetate (CID 161237250) is 4-(4-chlorophenyl)piperidine;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]ethane-1,2-dione;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-hydroxyacetate;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-oxoacetate.

What is the SMILES notation for 4-(4-chlorophenyl)piperidine;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]ethane-1,2-dione;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-hydroxyacetate;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-oxoacetate?

The canonical SMILES for 4-(4-chlorophenyl)piperidine;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]ethane-1,2-dione;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-hydroxyacetate;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-oxoacetate is COC(=O)C(=O)C1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1.COC(=O)C(O)C1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1.Clc1ccc(C2CCNCC2)cc1.O=C(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1.

What is the InChIKey of 4-(4-chlorophenyl)piperidine;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]ethane-1,2-dione;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-hydroxyacetate;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-oxoacetate?

The InChIKey is UZNQQTAWDRFKLY-XVKSWBPNSA-N. The full InChI is InChI=1S/C27H27Cl3N2O3.C17H19Cl2NO4.C17H17Cl2NO4.C11H14ClN/c28-22-5-3-19(4-6-22)20-9-15-32(16-10-20)27(35)26(34)21-11-13-31(14-12-21)25(33)8-2-18-1-7-23(29)24(30)17-18;2*1-24-17(23)16(22)12-6-8-20(9-7-12)15(21)5-3-11-2-4-13(18)14(19)10-11;12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-8,17,20-21H,9-16H2;2-5,10,12,16,22H,6-9H2,1H3;2-5,10,12H,6-9H2,1H3;1-4,10,13H,5-8H2/b8-2+;2*5-3+;.

What are the key properties of 4-(4-chlorophenyl)piperidine;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]ethane-1,2-dione;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-hydroxyacetate;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-oxoacetate?

4-(4-chlorophenyl)piperidine;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]ethane-1,2-dione;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-hydroxyacetate;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-oxoacetate has a molecular weight of 1472.06 g/mol, XLogP of 14.45, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chlorophenyl)piperidine;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]ethane-1,2-dione;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-hydroxyacetate;methyl 2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]-2-oxoacetate is sourced from PubChem (CID 161237250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).