potassium;ethyl 4-(2-hydroxy-15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidine-1-carboxylate;bis(ethyl 4-(15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate);hydride;15-methoxy-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;bis(15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);molecular hydrogen;dihydroiodide

C135H165I2KN12O13 — CID 160897674

About potassium;ethyl 4-(2-hydroxy-15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidine-1-carboxylate;bis(ethyl 4-(15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate);hydride;15-methoxy-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;bis(15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);molecular hydrogen;dihydroiodide

potassium;ethyl 4-(2-hydroxy-15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidine-1-carboxylate;bis(ethyl 4-(15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate);hydride;15-methoxy-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;bis(15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);molecular hydrogen;dihydroiodide (PubChem CID 160897674) has the molecular formula C135H165I2KN12O13 and a molecular weight of 2456.78 g/mol. Its IUPAC name is potassium;ethyl 4-(2-hydroxy-15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidine-1-carboxylate;bis(ethyl 4-(15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate);hydride;15-methoxy-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;bis(15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);molecular hydrogen;dihydroiodide.

Molecular Properties

• Compound Name: potassium;ethyl 4-(2-hydroxy-15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidine-1-carboxylate;bis(ethyl 4-(15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate);hydride;15-methoxy-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;bis(15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);molecular hydrogen;dihydroiodide
• PubChem CID: 160897674
• Molecular Formula: C135H165I2KN12O13
• Molecular Weight: 2456.78 g/mol
• Exact Mass: 2455.03
• IUPAC Name: potassium;ethyl 4-(2-hydroxy-15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidine-1-carboxylate;bis(ethyl 4-(15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate);hydride;15-methoxy-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;bis(15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);molecular hydrogen;dihydroiodide
• SMILES: CCOC(=O)N1CCC(=C2c3ncccc3CCc3cc(C)cc(OC)c32)CC1.CCOC(=O)N1CCC(=C2c3ncccc3CCc3cc(C)cc(OC)c32)CC1.CCOC(=O)N1CCC(C2(O)c3ncccc3CCc3cc(C)cc(OC)c32)CC1.COc1cc(C)cc2c1C(=C1CCNCC1)c1ncccc1CC2.COc1cc(C)cc2c1C(=C1CCNCC1)c1ncccc1CC2.COc1cc(C)cc2c1C(C1CCNCC1)c1ncccc1CC2.I.I.[H-].[H][H].[K+]
• InChI: InChI=1S/C24H30N2O4.2C24H28N2O3.C21H26N2O.2C21H24N2O.2HI.K.H2.H/c1-4-30-23(27)26-12-9-19(10-13-26)24(28)21-18(14-16(2)15-20(21)29-3)8-7-17-6-5-11-25-22(17)24;2*1-4-29-24(27)26-12-9-17(10-13-26)22-21-19(14-16(2)15-20(21)28-3)8-7-18-6-5-11-25-23(18)22;3*1-14-12-17-6-5-16-4-3-9-23-21(16)20(15-7-10-22-11-8-15)19(17)18(13-14)24-2;;;;;/h5-6,11,14-15,19,28H,4,7-10,12-13H2,1-3H3;2*5-6,11,14-15H,4,7-10,12-13H2,1-3H3;3-4,9,12-13,15,20,22H,5-8,10-11H2,1-2H3;2*3-4,9,12-13,22H,5-8,10-11H2,1-2H3;2*1H;;1H;/q;;;;;;;;+1;;-1
• InChIKey: FTBWNZAWKAFTFR-UHFFFAOYSA-N
• XLogP: 22.30
• TPSA: 277.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2456.78
LogP ≤ 5	22.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;ethyl 4-(2-hydroxy-15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidine-1-carboxylate;bis(ethyl 4-(15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate);hydride;15-methoxy-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;bis(15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);molecular hydrogen;dihydroiodide?

The IUPAC name of potassium;ethyl 4-(2-hydroxy-15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidine-1-carboxylate;bis(ethyl 4-(15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate);hydride;15-methoxy-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;bis(15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);molecular hydrogen;dihydroiodide (CID 160897674) is potassium;ethyl 4-(2-hydroxy-15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidine-1-carboxylate;bis(ethyl 4-(15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate);hydride;15-methoxy-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;bis(15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);molecular hydrogen;dihydroiodide.

What is the SMILES notation for potassium;ethyl 4-(2-hydroxy-15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidine-1-carboxylate;bis(ethyl 4-(15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate);hydride;15-methoxy-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;bis(15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);molecular hydrogen;dihydroiodide?

The canonical SMILES for potassium;ethyl 4-(2-hydroxy-15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidine-1-carboxylate;bis(ethyl 4-(15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate);hydride;15-methoxy-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;bis(15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);molecular hydrogen;dihydroiodide is CCOC(=O)N1CCC(=C2c3ncccc3CCc3cc(C)cc(OC)c32)CC1.CCOC(=O)N1CCC(=C2c3ncccc3CCc3cc(C)cc(OC)c32)CC1.CCOC(=O)N1CCC(C2(O)c3ncccc3CCc3cc(C)cc(OC)c32)CC1.COc1cc(C)cc2c1C(=C1CCNCC1)c1ncccc1CC2.COc1cc(C)cc2c1C(=C1CCNCC1)c1ncccc1CC2.COc1cc(C)cc2c1C(C1CCNCC1)c1ncccc1CC2.I.I.[H-].[H][H].[K+].

What is the InChIKey of potassium;ethyl 4-(2-hydroxy-15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidine-1-carboxylate;bis(ethyl 4-(15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate);hydride;15-methoxy-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;bis(15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);molecular hydrogen;dihydroiodide?

The InChIKey is FTBWNZAWKAFTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4.2C24H28N2O3.C21H26N2O.2C21H24N2O.2HI.K.H2.H/c1-4-30-23(27)26-12-9-19(10-13-26)24(28)21-18(14-16(2)15-20(21)29-3)8-7-17-6-5-11-25-22(17)24;2*1-4-29-24(27)26-12-9-17(10-13-26)22-21-19(14-16(2)15-20(21)28-3)8-7-18-6-5-11-25-23(18)22;3*1-14-12-17-6-5-16-4-3-9-23-21(16)20(15-7-10-22-11-8-15)19(17)18(13-14)24-2;;;;;/h5-6,11,14-15,19,28H,4,7-10,12-13H2,1-3H3;2*5-6,11,14-15H,4,7-10,12-13H2,1-3H3;3-4,9,12-13,15,20,22H,5-8,10-11H2,1-2H3;2*3-4,9,12-13,22H,5-8,10-11H2,1-2H3;2*1H;;1H;/q;;;;;;;;+1;;-1.

What are the key properties of potassium;ethyl 4-(2-hydroxy-15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidine-1-carboxylate;bis(ethyl 4-(15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate);hydride;15-methoxy-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;bis(15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);molecular hydrogen;dihydroiodide?

potassium;ethyl 4-(2-hydroxy-15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidine-1-carboxylate;bis(ethyl 4-(15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate);hydride;15-methoxy-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;bis(15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);molecular hydrogen;dihydroiodide has a molecular weight of 2456.78 g/mol, XLogP of 22.30, 11 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;ethyl 4-(2-hydroxy-15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidine-1-carboxylate;bis(ethyl 4-(15-methoxy-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate);hydride;15-methoxy-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;bis(15-methoxy-13-methyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);molecular hydrogen;dihydroiodide is sourced from PubChem (CID 160897674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).