3-(2,4-dichlorophenyl)-1-[4-[3-(diethylaminomethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one;2-[4-[3-(2,4-dichlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carbaldehyde;N-ethylethanamine

C46H60Cl4N8O3 — CID 158074378

About 3-(2,4-dichlorophenyl)-1-[4-[3-(diethylaminomethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one;2-[4-[3-(2,4-dichlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carbaldehyde;N-ethylethanamine

3-(2,4-dichlorophenyl)-1-[4-[3-(diethylaminomethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one;2-[4-[3-(2,4-dichlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carbaldehyde;N-ethylethanamine (PubChem CID 158074378) has the molecular formula C46H60Cl4N8O3 and a molecular weight of 914.85 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-[4-[3-(diethylaminomethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one;2-[4-[3-(2,4-dichlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carbaldehyde;N-ethylethanamine.

Molecular Properties

• Compound Name: 3-(2,4-dichlorophenyl)-1-[4-[3-(diethylaminomethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one;2-[4-[3-(2,4-dichlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carbaldehyde;N-ethylethanamine
• PubChem CID: 158074378
• Molecular Formula: C46H60Cl4N8O3
• Molecular Weight: 914.85 g/mol
• Exact Mass: 912.35
• IUPAC Name: 3-(2,4-dichlorophenyl)-1-[4-[3-(diethylaminomethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one;2-[4-[3-(2,4-dichlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carbaldehyde;N-ethylethanamine
• SMILES: CCN(CC)Cc1cccnc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1.CCNCC.O=Cc1cccnc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1
• InChI: InChI=1S/C23H30Cl2N4O.C19H19Cl2N3O2.C4H11N/c1-3-27(4-2)17-19-6-5-11-26-23(19)29-14-12-28(13-15-29)22(30)10-8-18-7-9-20(24)16-21(18)25;20-16-5-3-14(17(21)12-16)4-6-18(26)23-8-10-24(11-9-23)19-15(13-25)2-1-7-22-19;1-3-5-4-2/h5-7,9,11,16H,3-4,8,10,12-15,17H2,1-2H3;1-3,5,7,12-13H,4,6,8-11H2;5H,3-4H2,1-2H3
• InChIKey: FMEPATVOXIZLJJ-UHFFFAOYSA-N
• XLogP: 8.61
• TPSA: 105.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	914.85
LogP ≤ 5	8.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-[4-[3-(diethylaminomethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one;2-[4-[3-(2,4-dichlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carbaldehyde;N-ethylethanamine?

The IUPAC name of 3-(2,4-dichlorophenyl)-1-[4-[3-(diethylaminomethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one;2-[4-[3-(2,4-dichlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carbaldehyde;N-ethylethanamine (CID 158074378) is 3-(2,4-dichlorophenyl)-1-[4-[3-(diethylaminomethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one;2-[4-[3-(2,4-dichlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carbaldehyde;N-ethylethanamine.

What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-[4-[3-(diethylaminomethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one;2-[4-[3-(2,4-dichlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carbaldehyde;N-ethylethanamine?

The canonical SMILES for 3-(2,4-dichlorophenyl)-1-[4-[3-(diethylaminomethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one;2-[4-[3-(2,4-dichlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carbaldehyde;N-ethylethanamine is CCN(CC)Cc1cccnc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1.CCNCC.O=Cc1cccnc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1.

What is the InChIKey of 3-(2,4-dichlorophenyl)-1-[4-[3-(diethylaminomethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one;2-[4-[3-(2,4-dichlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carbaldehyde;N-ethylethanamine?

The InChIKey is FMEPATVOXIZLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Cl2N4O.C19H19Cl2N3O2.C4H11N/c1-3-27(4-2)17-19-6-5-11-26-23(19)29-14-12-28(13-15-29)22(30)10-8-18-7-9-20(24)16-21(18)25;20-16-5-3-14(17(21)12-16)4-6-18(26)23-8-10-24(11-9-23)19-15(13-25)2-1-7-22-19;1-3-5-4-2/h5-7,9,11,16H,3-4,8,10,12-15,17H2,1-2H3;1-3,5,7,12-13H,4,6,8-11H2;5H,3-4H2,1-2H3.

What are the key properties of 3-(2,4-dichlorophenyl)-1-[4-[3-(diethylaminomethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one;2-[4-[3-(2,4-dichlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carbaldehyde;N-ethylethanamine?

3-(2,4-dichlorophenyl)-1-[4-[3-(diethylaminomethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one;2-[4-[3-(2,4-dichlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carbaldehyde;N-ethylethanamine has a molecular weight of 914.85 g/mol, XLogP of 8.61, 15 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,4-dichlorophenyl)-1-[4-[3-(diethylaminomethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one;2-[4-[3-(2,4-dichlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carbaldehyde;N-ethylethanamine is sourced from PubChem (CID 158074378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).