bis(15-methoxy-13-methyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);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)

C107H126N10O5 — CID 90990194

About bis(15-methoxy-13-methyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);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)

bis(15-methoxy-13-methyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);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) (PubChem CID 90990194) has the molecular formula C107H126N10O5 and a molecular weight of 1632.25 g/mol. Its IUPAC name is bis(15-methoxy-13-methyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);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 Properties

• Compound Name: bis(15-methoxy-13-methyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);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)
• PubChem CID: 90990194
• Molecular Formula: C107H126N10O5
• Molecular Weight: 1632.25 g/mol
• Exact Mass: 1630.99
• IUPAC Name: bis(15-methoxy-13-methyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);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)
• SMILES: COc1cc(C)cc2c1C(=C1CCN(C)CC1)c1ncccc1CC2.COc1cc(C)cc2c1C(=C1CCN(C)CC1)c1ncccc1CC2.COc1cc(C)cc2c1C(=C1CCNCC1)c1ncccc1CC2.COc1cc(C)cc2c1C(=C1CCNCC1)c1ncccc1CC2.COc1cc(C)cc2c1C(C1CCNCC1)c1ncccc1CC2
• InChI: InChI=1S/2C22H26N2O.C21H26N2O.2C21H24N2O/c2*1-15-13-18-7-6-17-5-4-10-23-22(17)21(20(18)19(14-15)25-3)16-8-11-24(2)12-9-16;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/h2*4-5,10,13-14H,6-9,11-12H2,1-3H3;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
• InChIKey: LPNFIBVKTDYDBQ-UHFFFAOYSA-N
• XLogP: 19.04
• TPSA: 153.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1632.25
LogP ≤ 5	19.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of bis(15-methoxy-13-methyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);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)?

The IUPAC name of bis(15-methoxy-13-methyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);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) (CID 90990194) is bis(15-methoxy-13-methyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);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).

What is the SMILES notation for bis(15-methoxy-13-methyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);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)?

The canonical SMILES for bis(15-methoxy-13-methyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);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) is COc1cc(C)cc2c1C(=C1CCN(C)CC1)c1ncccc1CC2.COc1cc(C)cc2c1C(=C1CCN(C)CC1)c1ncccc1CC2.COc1cc(C)cc2c1C(=C1CCNCC1)c1ncccc1CC2.COc1cc(C)cc2c1C(=C1CCNCC1)c1ncccc1CC2.COc1cc(C)cc2c1C(C1CCNCC1)c1ncccc1CC2.

What is the InChIKey of bis(15-methoxy-13-methyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);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)?

The InChIKey is LPNFIBVKTDYDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H26N2O.C21H26N2O.2C21H24N2O/c2*1-15-13-18-7-6-17-5-4-10-23-22(17)21(20(18)19(14-15)25-3)16-8-11-24(2)12-9-16;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/h2*4-5,10,13-14H,6-9,11-12H2,1-3H3;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.

What are the key properties of bis(15-methoxy-13-methyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);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)?

bis(15-methoxy-13-methyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);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) has a molecular weight of 1632.25 g/mol, XLogP of 19.04, 6 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for bis(15-methoxy-13-methyl-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene);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) is sourced from PubChem (CID 90990194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).