tert-butyl 4-hydroxypiperidine-1-carboxylate;N,N-dimethylmethanamine;1,1,2,2,3,3-hexafluoro-N-methylsulfonyl-3-piperidin-4-ylsulfonylpropane-1-sulfonamide;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine oxide;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide

C89H137F6N8O17S4+ — CID 159969682

IUPACtert-butyl 4-hydroxypiperidine-1-carboxylate;N,N-dimethylmethanamine;1,1,2,2,3,3-hexafluoro-N-methylsulfonyl-3-piperidin-4-ylsulfonylpropane-1-sulfonamide;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine oxide;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide
SMILESCC(C)(C)OC(=O)N1CCC(O)CC1.CCCC[N+](CCCC)(CCCC)CCCC.CN(C)C.COCOCC[N+]([O-])(CCOCOC)CCOCOC.CS(=O)(=O)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)C1CCNCC1.[OH-].c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H16N2.C18H15S.C16H36N.C12H27NO7.C10H19NO3.C9H14F6N2O6S3.C3H9N.H2O/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-15-10-18-7-4-13(14,5-8-19-11-16-2)6-9-20-12-17-3;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-24(18,19)17-26(22,23)9(14,15)7(10,11)8(12,13)25(20,21)6-2-4-16-5-3-6;1-4(2)3;/h1-15H,(H,22,23);1-15H;5-16H2,1-4H3;4-12H2,1-3H3;8,12H,4-7H2,1-3H3;6,16-17H,2-5H2,1H3;1-3H3;1H2/q;2*+1;;;;;/p-1
InChIKeyWDOFSIZHFZIPKB-UHFFFAOYSA-M
MW1833.37 g/mol
LogP16.59
Rot. Bonds40

About tert-butyl 4-hydroxypiperidine-1-carboxylate;N,N-dimethylmethanamine;1,1,2,2,3,3-hexafluoro-N-methylsulfonyl-3-piperidin-4-ylsulfonylpropane-1-sulfonamide;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine oxide;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide

tert-butyl 4-hydroxypiperidine-1-carboxylate;N,N-dimethylmethanamine;1,1,2,2,3,3-hexafluoro-N-methylsulfonyl-3-piperidin-4-ylsulfonylpropane-1-sulfonamide;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine oxide;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide (PubChem CID 159969682) has the molecular formula C89H137F6N8O17S4+ and a molecular weight of 1833.37 g/mol. Its IUPAC name is tert-butyl 4-hydroxypiperidine-1-carboxylate;N,N-dimethylmethanamine;1,1,2,2,3,3-hexafluoro-N-methylsulfonyl-3-piperidin-4-ylsulfonylpropane-1-sulfonamide;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine oxide;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide.

Molecular Properties

Compound Nametert-butyl 4-hydroxypiperidine-1-carboxylate;N,N-dimethylmethanamine;1,1,2,2,3,3-hexafluoro-N-methylsulfonyl-3-piperidin-4-ylsulfonylpropane-1-sulfonamide;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine oxide;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide
PubChem CID159969682
Molecular FormulaC89H137F6N8O17S4+
Molecular Weight1833.37 g/mol
Exact Mass1831.89
IUPAC Nametert-butyl 4-hydroxypiperidine-1-carboxylate;N,N-dimethylmethanamine;1,1,2,2,3,3-hexafluoro-N-methylsulfonyl-3-piperidin-4-ylsulfonylpropane-1-sulfonamide;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine oxide;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide
SMILESCC(C)(C)OC(=O)N1CCC(O)CC1.CCCC[N+](CCCC)(CCCC)CCCC.CN(C)C.COCOCC[N+]([O-])(CCOCOC)CCOCOC.CS(=O)(=O)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)C1CCNCC1.[OH-].c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H16N2.C18H15S.C16H36N.C12H27NO7.C10H19NO3.C9H14F6N2O6S3.C3H9N.H2O/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-15-10-18-7-4-13(14,5-8-19-11-16-2)6-9-20-12-17-3;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-24(18,19)17-26(22,23)9(14,15)7(10,11)8(12,13)25(20,21)6-2-4-16-5-3-6;1-4(2)3;/h1-15H,(H,22,23);1-15H;5-16H2,1-4H3;4-12H2,1-3H3;8,12H,4-7H2,1-3H3;6,16-17H,2-5H2,1H3;1-3H3;1H2/q;2*+1;;;;;/p-1
InChIKeyWDOFSIZHFZIPKB-UHFFFAOYSA-M
XLogP16.59
TPSA316.61 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds40
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001833.37
LogP ≤ 516.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl 4-hydroxypiperidine-1-carboxylate;N,N-dimethylmethanamine;1,1,2,2,3,3-hexafluoro-N-methylsulfonyl-3-piperidin-4-ylsulfonylpropane-1-sulfonamide;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine oxide;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide with MolForge

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Related Compounds

N,N'-dicyclohexylmorpholine-4-carboximidamide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide
CID 161436332
tert-butyl 4-hydroxypiperidine-1-carboxylate;(1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide;N-methyl-N-octa-1,3,5,7-tetraynylocta-1,3,5,7-tetrayn-1-amine;molecular hydrogen;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide
CID 161705854
tert-butyl 4-hydroxypiperidine-1-carboxylate;N,N-dimethylmethanamine;(1,1,2,2,3,3-hexafluoro-3-piperidin-4-ylsulfonylpropyl)sulfonyl-methylsulfonylazanide;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine oxide;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide
CID 161817349

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxypiperidine-1-carboxylate;N,N-dimethylmethanamine;1,1,2,2,3,3-hexafluoro-N-methylsulfonyl-3-piperidin-4-ylsulfonylpropane-1-sulfonamide;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine oxide;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide?
The IUPAC name of tert-butyl 4-hydroxypiperidine-1-carboxylate;N,N-dimethylmethanamine;1,1,2,2,3,3-hexafluoro-N-methylsulfonyl-3-piperidin-4-ylsulfonylpropane-1-sulfonamide;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine oxide;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide (CID 159969682) is tert-butyl 4-hydroxypiperidine-1-carboxylate;N,N-dimethylmethanamine;1,1,2,2,3,3-hexafluoro-N-methylsulfonyl-3-piperidin-4-ylsulfonylpropane-1-sulfonamide;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine oxide;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide.
What is the SMILES notation for tert-butyl 4-hydroxypiperidine-1-carboxylate;N,N-dimethylmethanamine;1,1,2,2,3,3-hexafluoro-N-methylsulfonyl-3-piperidin-4-ylsulfonylpropane-1-sulfonamide;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine oxide;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide?
The canonical SMILES for tert-butyl 4-hydroxypiperidine-1-carboxylate;N,N-dimethylmethanamine;1,1,2,2,3,3-hexafluoro-N-methylsulfonyl-3-piperidin-4-ylsulfonylpropane-1-sulfonamide;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine oxide;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide is CC(C)(C)OC(=O)N1CCC(O)CC1.CCCC[N+](CCCC)(CCCC)CCCC.CN(C)C.COCOCC[N+]([O-])(CCOCOC)CCOCOC.CS(=O)(=O)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)C1CCNCC1.[OH-].c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tert-butyl 4-hydroxypiperidine-1-carboxylate;N,N-dimethylmethanamine;1,1,2,2,3,3-hexafluoro-N-methylsulfonyl-3-piperidin-4-ylsulfonylpropane-1-sulfonamide;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine oxide;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide?
The InChIKey is WDOFSIZHFZIPKB-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H16N2.C18H15S.C16H36N.C12H27NO7.C10H19NO3.C9H14F6N2O6S3.C3H9N.H2O/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-15-10-18-7-4-13(14,5-8-19-11-16-2)6-9-20-12-17-3;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-24(18,19)17-26(22,23)9(14,15)7(10,11)8(12,13)25(20,21)6-2-4-16-5-3-6;1-4(2)3;/h1-15H,(H,22,23);1-15H;5-16H2,1-4H3;4-12H2,1-3H3;8,12H,4-7H2,1-3H3;6,16-17H,2-5H2,1H3;1-3H3;1H2/q;2*+1;;;;;/p-1.
What are the key properties of tert-butyl 4-hydroxypiperidine-1-carboxylate;N,N-dimethylmethanamine;1,1,2,2,3,3-hexafluoro-N-methylsulfonyl-3-piperidin-4-ylsulfonylpropane-1-sulfonamide;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine oxide;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide?
tert-butyl 4-hydroxypiperidine-1-carboxylate;N,N-dimethylmethanamine;1,1,2,2,3,3-hexafluoro-N-methylsulfonyl-3-piperidin-4-ylsulfonylpropane-1-sulfonamide;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine oxide;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide has a molecular weight of 1833.37 g/mol, XLogP of 16.59, 40 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxypiperidine-1-carboxylate;N,N-dimethylmethanamine;1,1,2,2,3,3-hexafluoro-N-methylsulfonyl-3-piperidin-4-ylsulfonylpropane-1-sulfonamide;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine oxide;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide is sourced from PubChem (CID 159969682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).