1,7,8,9,10,10-hexachloro-4-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C21H26Cl6N2O2 — CID 22153622

IUPAC1,7,8,9,10,10-hexachloro-4-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCCC1(C)CC(N2C(=O)C3C(C2=O)C2(Cl)C(Cl)=C(Cl)C3(Cl)C2(Cl)Cl)C(C)C(C)(CC)N1
InChIInChI=1S/C21H26Cl6N2O2/c1-6-17(4)8-10(9(3)18(5,7-2)28-17)29-15(30)11-12(16(29)31)20(25)14(23)13(22)19(11,24)21(20,26)27/h9-12,28H,6-8H2,1-5H3
InChIKeyZRZCUPHGVCNPTP-UHFFFAOYSA-N
MW551.17 g/mol
LogP5.77
Rot. Bonds3

About 1,7,8,9,10,10-hexachloro-4-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

1,7,8,9,10,10-hexachloro-4-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 22153622) has the molecular formula C21H26Cl6N2O2 and a molecular weight of 551.17 g/mol. Its IUPAC name is 1,7,8,9,10,10-hexachloro-4-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name1,7,8,9,10,10-hexachloro-4-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID22153622
Molecular FormulaC21H26Cl6N2O2
Molecular Weight551.17 g/mol
Exact Mass548.01
IUPAC Name1,7,8,9,10,10-hexachloro-4-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCCC1(C)CC(N2C(=O)C3C(C2=O)C2(Cl)C(Cl)=C(Cl)C3(Cl)C2(Cl)Cl)C(C)C(C)(CC)N1
InChIInChI=1S/C21H26Cl6N2O2/c1-6-17(4)8-10(9(3)18(5,7-2)28-17)29-15(30)11-12(16(29)31)20(25)14(23)13(22)19(11,24)21(20,26)27/h9-12,28H,6-8H2,1-5H3
InChIKeyZRZCUPHGVCNPTP-UHFFFAOYSA-N
XLogP5.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.17
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1,7,8,9,10,10-hexachloro-4-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,7,8,9,10,10-hexachloro-4-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 1,7,8,9,10,10-hexachloro-4-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 22153622) is 1,7,8,9,10,10-hexachloro-4-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 1,7,8,9,10,10-hexachloro-4-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 1,7,8,9,10,10-hexachloro-4-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is CCC1(C)CC(N2C(=O)C3C(C2=O)C2(Cl)C(Cl)=C(Cl)C3(Cl)C2(Cl)Cl)C(C)C(C)(CC)N1.
What is the InChIKey of 1,7,8,9,10,10-hexachloro-4-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is ZRZCUPHGVCNPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl6N2O2/c1-6-17(4)8-10(9(3)18(5,7-2)28-17)29-15(30)11-12(16(29)31)20(25)14(23)13(22)19(11,24)21(20,26)27/h9-12,28H,6-8H2,1-5H3.
What are the key properties of 1,7,8,9,10,10-hexachloro-4-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
1,7,8,9,10,10-hexachloro-4-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 551.17 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,8,9,10,10-hexachloro-4-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 22153622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).