dipotassium;bromomethane;tert-butyl 3,5-dimethylpiperazine-1-carboxylate;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpiperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,6-dimethylpiperazine;oxido formate;2,2,2-trifluoroacetaldehyde

C46H92BrF3K2N6O14 — CID 158637090

IUPACdipotassium;bromomethane;tert-butyl 3,5-dimethylpiperazine-1-carboxylate;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpiperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,6-dimethylpiperazine;oxido formate;2,2,2-trifluoroacetaldehyde
SMILESCBr.CC1CN(C(=O)OC(C)(C)C)CC(C)N1.COCCOCCOCCN1C(C)CN(C(=O)OC(C)(C)C)CC1C.COCCOCCOCCN1C(C)CNCC1C.O=CC(F)(F)F.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C18H36N2O5.C13H28N2O3.C11H22N2O2.C2HF3O.CH3Br.CH2O3.2K.H/c1-15-13-19(17(21)25-18(3,4)5)14-16(2)20(15)7-8-23-11-12-24-10-9-22-6;1-12-10-14-11-13(2)15(12)4-5-17-8-9-18-7-6-16-3;1-8-6-13(7-9(2)12-8)10(14)15-11(3,4)5;3-2(4,5)1-6;1-2;2-1-4-3;;;/h15-16H,7-14H2,1-6H3;12-14H,4-11H2,1-3H3;8-9,12H,6-7H2,1-5H3;1H;1H3;1,3H;;;/q;;;;;;2*+1;-1/p-1
InChIKeyFWWUTSIWIJDWTR-UHFFFAOYSA-M
MW1168.36 g/mol
LogP-1.74
Rot. Bonds19

About dipotassium;bromomethane;tert-butyl 3,5-dimethylpiperazine-1-carboxylate;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpiperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,6-dimethylpiperazine;oxido formate;2,2,2-trifluoroacetaldehyde

dipotassium;bromomethane;tert-butyl 3,5-dimethylpiperazine-1-carboxylate;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpiperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,6-dimethylpiperazine;oxido formate;2,2,2-trifluoroacetaldehyde (PubChem CID 158637090) has the molecular formula C46H92BrF3K2N6O14 and a molecular weight of 1168.36 g/mol. Its IUPAC name is dipotassium;bromomethane;tert-butyl 3,5-dimethylpiperazine-1-carboxylate;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpiperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,6-dimethylpiperazine;oxido formate;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Namedipotassium;bromomethane;tert-butyl 3,5-dimethylpiperazine-1-carboxylate;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpiperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,6-dimethylpiperazine;oxido formate;2,2,2-trifluoroacetaldehyde
PubChem CID158637090
Molecular FormulaC46H92BrF3K2N6O14
Molecular Weight1168.36 g/mol
Exact Mass1166.51
IUPAC Namedipotassium;bromomethane;tert-butyl 3,5-dimethylpiperazine-1-carboxylate;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpiperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,6-dimethylpiperazine;oxido formate;2,2,2-trifluoroacetaldehyde
SMILESCBr.CC1CN(C(=O)OC(C)(C)C)CC(C)N1.COCCOCCOCCN1C(C)CN(C(=O)OC(C)(C)C)CC1C.COCCOCCOCCN1C(C)CNCC1C.O=CC(F)(F)F.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C18H36N2O5.C13H28N2O3.C11H22N2O2.C2HF3O.CH3Br.CH2O3.2K.H/c1-15-13-19(17(21)25-18(3,4)5)14-16(2)20(15)7-8-23-11-12-24-10-9-22-6;1-12-10-14-11-13(2)15(12)4-5-17-8-9-18-7-6-16-3;1-8-6-13(7-9(2)12-8)10(14)15-11(3,4)5;3-2(4,5)1-6;1-2;2-1-4-3;;;/h15-16H,7-14H2,1-6H3;12-14H,4-11H2,1-3H3;8-9,12H,6-7H2,1-5H3;1H;1H3;1,3H;;;/q;;;;;;2*+1;-1/p-1
InChIKeyFWWUTSIWIJDWTR-UHFFFAOYSA-M
XLogP-1.74
TPSA211.43 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001168.36
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dipotassium;bromomethane;tert-butyl 3,5-dimethylpiperazine-1-carboxylate;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpiperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,6-dimethylpiperazine;oxido formate;2,2,2-trifluoroacetaldehyde 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 dipotassium;bromomethane;tert-butyl 3,5-dimethylpiperazine-1-carboxylate;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpiperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,6-dimethylpiperazine;oxido formate;2,2,2-trifluoroacetaldehyde?
The IUPAC name of dipotassium;bromomethane;tert-butyl 3,5-dimethylpiperazine-1-carboxylate;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpiperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,6-dimethylpiperazine;oxido formate;2,2,2-trifluoroacetaldehyde (CID 158637090) is dipotassium;bromomethane;tert-butyl 3,5-dimethylpiperazine-1-carboxylate;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpiperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,6-dimethylpiperazine;oxido formate;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for dipotassium;bromomethane;tert-butyl 3,5-dimethylpiperazine-1-carboxylate;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpiperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,6-dimethylpiperazine;oxido formate;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for dipotassium;bromomethane;tert-butyl 3,5-dimethylpiperazine-1-carboxylate;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpiperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,6-dimethylpiperazine;oxido formate;2,2,2-trifluoroacetaldehyde is CBr.CC1CN(C(=O)OC(C)(C)C)CC(C)N1.COCCOCCOCCN1C(C)CN(C(=O)OC(C)(C)C)CC1C.COCCOCCOCCN1C(C)CNCC1C.O=CC(F)(F)F.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;bromomethane;tert-butyl 3,5-dimethylpiperazine-1-carboxylate;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpiperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,6-dimethylpiperazine;oxido formate;2,2,2-trifluoroacetaldehyde?
The InChIKey is FWWUTSIWIJDWTR-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H36N2O5.C13H28N2O3.C11H22N2O2.C2HF3O.CH3Br.CH2O3.2K.H/c1-15-13-19(17(21)25-18(3,4)5)14-16(2)20(15)7-8-23-11-12-24-10-9-22-6;1-12-10-14-11-13(2)15(12)4-5-17-8-9-18-7-6-16-3;1-8-6-13(7-9(2)12-8)10(14)15-11(3,4)5;3-2(4,5)1-6;1-2;2-1-4-3;;;/h15-16H,7-14H2,1-6H3;12-14H,4-11H2,1-3H3;8-9,12H,6-7H2,1-5H3;1H;1H3;1,3H;;;/q;;;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;bromomethane;tert-butyl 3,5-dimethylpiperazine-1-carboxylate;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpiperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,6-dimethylpiperazine;oxido formate;2,2,2-trifluoroacetaldehyde?
dipotassium;bromomethane;tert-butyl 3,5-dimethylpiperazine-1-carboxylate;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpiperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,6-dimethylpiperazine;oxido formate;2,2,2-trifluoroacetaldehyde has a molecular weight of 1168.36 g/mol, XLogP of -1.74, 19 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;bromomethane;tert-butyl 3,5-dimethylpiperazine-1-carboxylate;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpiperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,6-dimethylpiperazine;oxido formate;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 158637090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).