potassium;benzyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;carbanide;chloromethyl(trifluoro)boranuide;(2S,6R)-2,6-dimethylmorpholine;[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-ium-1-yl]methyl-difluoroborane;N-[5-[7-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;(2S,6R)-2,6-dimethyl-4-piperidin-4-ylmorpholine;palladium;fluoride

C109H166B2BrClF6KN20O18PdS4- — CID 158284110

About potassium;benzyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;carbanide;chloromethyl(trifluoro)boranuide;(2S,6R)-2,6-dimethylmorpholine;[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-ium-1-yl]methyl-difluoroborane;N-[5-[7-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;(2S,6R)-2,6-dimethyl-4-piperidin-4-ylmorpholine;palladium;fluoride

potassium;benzyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;carbanide;chloromethyl(trifluoro)boranuide;(2S,6R)-2,6-dimethylmorpholine;[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-ium-1-yl]methyl-difluoroborane;N-[5-[7-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;(2S,6R)-2,6-dimethyl-4-piperidin-4-ylmorpholine;palladium;fluoride (PubChem CID 158284110) has the molecular formula C109H166B2BrClF6KN20O18PdS4- and a molecular weight of 2569.40 g/mol. Its IUPAC name is potassium;benzyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;carbanide;chloromethyl(trifluoro)boranuide;(2S,6R)-2,6-dimethylmorpholine;[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-ium-1-yl]methyl-difluoroborane;N-[5-[7-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;(2S,6R)-2,6-dimethyl-4-piperidin-4-ylmorpholine;palladium;fluoride.

Molecular Properties

• Compound Name: potassium;benzyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;carbanide;chloromethyl(trifluoro)boranuide;(2S,6R)-2,6-dimethylmorpholine;[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-ium-1-yl]methyl-difluoroborane;N-[5-[7-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;(2S,6R)-2,6-dimethyl-4-piperidin-4-ylmorpholine;palladium;fluoride
• PubChem CID: 158284110
• Molecular Formula: C109H166B2BrClF6KN20O18PdS4-
• Molecular Weight: 2569.40 g/mol
• Exact Mass: 2565.92
• IUPAC Name: potassium;benzyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;carbanide;chloromethyl(trifluoro)boranuide;(2S,6R)-2,6-dimethylmorpholine;[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-ium-1-yl]methyl-difluoroborane;N-[5-[7-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;(2S,6R)-2,6-dimethyl-4-piperidin-4-ylmorpholine;palladium;fluoride
• SMILES: COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1NS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(N5C[C@@H](C)O[C@@H](C)C5)CC4)csc23)cc1NS(C)(=O)=O.C[C@@H]1CN(C2CCN(C(=O)OCc3ccccc3)CC2)C[C@H](C)O1.C[C@@H]1CN(C2CCNCC2)C[C@H](C)O1.C[C@@H]1CN(C2CC[NH+](CB(F)F)CC2)C[C@H](C)O1.C[C@@H]1CNC[C@H](C)O1.F[B-](F)(F)CCl.O=C1CCN(C(=O)OCc2ccccc2)CC1.[CH3-].[F-].[K+].[Pd]
• InChI: InChI=1S/C29H41N7O5S2.C19H28N2O3.C17H18BrN5O4S2.C13H15NO3.C12H23BF2N2O.C11H22N2O.C6H13NO.CH2BClF3.CH3.FH.K.Pd/c1-19-15-36(16-20(2)41-19)23-5-7-34(8-6-23)17-22-18-42-27-25(31-29(32-26(22)27)35-9-11-40-12-10-35)21-13-24(33-43(4,37)38)28(39-3)30-14-21;1-15-12-21(13-16(2)24-15)18-8-10-20(11-9-18)19(22)23-14-17-6-4-3-5-7-17;1-26-16-12(22-29(2,24)25)7-10(8-19-16)13-15-14(11(18)9-28-15)21-17(20-13)23-3-5-27-6-4-23;15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11;1-10-7-17(8-11(2)18-10)12-3-5-16(6-4-12)9-13(14)15;1-9-7-13(8-10(2)14-9)11-3-5-12-6-4-11;1-5-3-7-4-6(2)8-5;3-1-2(4,5)6;;;;/h13-14,18-20,23,33H,5-12,15-17H2,1-4H3;3-7,15-16,18H,8-14H2,1-2H3;7-9,22H,3-6H2,1-2H3;1-5H,6-10H2;10-12H,3-9H2,1-2H3;9-12H,3-8H2,1-2H3;5-7H,3-4H2,1-2H3;1H2;1H3;1H;;/q;;;;;;;2*-1;;+1;/t19-,20+;15-,16+;;;10-,11+;9-,10+;5-,6+
• InChIKey: SUZUXNCIKQCBLV-QGVUFULTSA-N
• XLogP: 8.07
• TPSA: 380.08 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 23
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2569.40
LogP ≤ 5	8.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;benzyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;carbanide;chloromethyl(trifluoro)boranuide;(2S,6R)-2,6-dimethylmorpholine;[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-ium-1-yl]methyl-difluoroborane;N-[5-[7-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;(2S,6R)-2,6-dimethyl-4-piperidin-4-ylmorpholine;palladium;fluoride?

The IUPAC name of potassium;benzyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;carbanide;chloromethyl(trifluoro)boranuide;(2S,6R)-2,6-dimethylmorpholine;[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-ium-1-yl]methyl-difluoroborane;N-[5-[7-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;(2S,6R)-2,6-dimethyl-4-piperidin-4-ylmorpholine;palladium;fluoride (CID 158284110) is potassium;benzyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;carbanide;chloromethyl(trifluoro)boranuide;(2S,6R)-2,6-dimethylmorpholine;[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-ium-1-yl]methyl-difluoroborane;N-[5-[7-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;(2S,6R)-2,6-dimethyl-4-piperidin-4-ylmorpholine;palladium;fluoride.

What is the SMILES notation for potassium;benzyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;carbanide;chloromethyl(trifluoro)boranuide;(2S,6R)-2,6-dimethylmorpholine;[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-ium-1-yl]methyl-difluoroborane;N-[5-[7-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;(2S,6R)-2,6-dimethyl-4-piperidin-4-ylmorpholine;palladium;fluoride?

The canonical SMILES for potassium;benzyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;carbanide;chloromethyl(trifluoro)boranuide;(2S,6R)-2,6-dimethylmorpholine;[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-ium-1-yl]methyl-difluoroborane;N-[5-[7-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;(2S,6R)-2,6-dimethyl-4-piperidin-4-ylmorpholine;palladium;fluoride is COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1NS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(N5C[C@@H](C)O[C@@H](C)C5)CC4)csc23)cc1NS(C)(=O)=O.C[C@@H]1CN(C2CCN(C(=O)OCc3ccccc3)CC2)C[C@H](C)O1.C[C@@H]1CN(C2CCNCC2)C[C@H](C)O1.C[C@@H]1CN(C2CC[NH+](CB(F)F)CC2)C[C@H](C)O1.C[C@@H]1CNC[C@H](C)O1.F[B-](F)(F)CCl.O=C1CCN(C(=O)OCc2ccccc2)CC1.[CH3-].[F-].[K+].[Pd].

What is the InChIKey of potassium;benzyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;carbanide;chloromethyl(trifluoro)boranuide;(2S,6R)-2,6-dimethylmorpholine;[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-ium-1-yl]methyl-difluoroborane;N-[5-[7-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;(2S,6R)-2,6-dimethyl-4-piperidin-4-ylmorpholine;palladium;fluoride?

The InChIKey is SUZUXNCIKQCBLV-QGVUFULTSA-N. The full InChI is InChI=1S/C29H41N7O5S2.C19H28N2O3.C17H18BrN5O4S2.C13H15NO3.C12H23BF2N2O.C11H22N2O.C6H13NO.CH2BClF3.CH3.FH.K.Pd/c1-19-15-36(16-20(2)41-19)23-5-7-34(8-6-23)17-22-18-42-27-25(31-29(32-26(22)27)35-9-11-40-12-10-35)21-13-24(33-43(4,37)38)28(39-3)30-14-21;1-15-12-21(13-16(2)24-15)18-8-10-20(11-9-18)19(22)23-14-17-6-4-3-5-7-17;1-26-16-12(22-29(2,24)25)7-10(8-19-16)13-15-14(11(18)9-28-15)21-17(20-13)23-3-5-27-6-4-23;15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11;1-10-7-17(8-11(2)18-10)12-3-5-16(6-4-12)9-13(14)15;1-9-7-13(8-10(2)14-9)11-3-5-12-6-4-11;1-5-3-7-4-6(2)8-5;3-1-2(4,5)6;;;;/h13-14,18-20,23,33H,5-12,15-17H2,1-4H3;3-7,15-16,18H,8-14H2,1-2H3;7-9,22H,3-6H2,1-2H3;1-5H,6-10H2;10-12H,3-9H2,1-2H3;9-12H,3-8H2,1-2H3;5-7H,3-4H2,1-2H3;1H2;1H3;1H;;/q;;;;;;;2*-1;;+1;/t19-,20+;15-,16+;;;10-,11+;9-,10+;5-,6+;;;;;.

What are the key properties of potassium;benzyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;carbanide;chloromethyl(trifluoro)boranuide;(2S,6R)-2,6-dimethylmorpholine;[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-ium-1-yl]methyl-difluoroborane;N-[5-[7-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;(2S,6R)-2,6-dimethyl-4-piperidin-4-ylmorpholine;palladium;fluoride?

potassium;benzyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;carbanide;chloromethyl(trifluoro)boranuide;(2S,6R)-2,6-dimethylmorpholine;[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-ium-1-yl]methyl-difluoroborane;N-[5-[7-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;(2S,6R)-2,6-dimethyl-4-piperidin-4-ylmorpholine;palladium;fluoride has a molecular weight of 2569.40 g/mol, XLogP of 8.07, 23 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;benzyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;benzyl 4-oxopiperidine-1-carboxylate;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;carbanide;chloromethyl(trifluoro)boranuide;(2S,6R)-2,6-dimethylmorpholine;[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-ium-1-yl]methyl-difluoroborane;N-[5-[7-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;(2S,6R)-2,6-dimethyl-4-piperidin-4-ylmorpholine;palladium;fluoride is sourced from PubChem (CID 158284110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).