6-morpholin-4-yl-4-[3-(2-piperidin-1-ylethoxy)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dihydrochloride

C26H31Cl2N5O3 — CID 90664543

About 6-morpholin-4-yl-4-[3-(2-piperidin-1-ylethoxy)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dihydrochloride

6-morpholin-4-yl-4-[3-(2-piperidin-1-ylethoxy)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dihydrochloride (PubChem CID 90664543) has the molecular formula C26H31Cl2N5O3 and a molecular weight of 532.47 g/mol. Its IUPAC name is 6-morpholin-4-yl-4-[3-(2-piperidin-1-ylethoxy)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dihydrochloride.

Molecular Properties

• Compound Name: 6-morpholin-4-yl-4-[3-(2-piperidin-1-ylethoxy)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dihydrochloride
• PubChem CID: 90664543
• Molecular Formula: C26H31Cl2N5O3
• Molecular Weight: 532.47 g/mol
• Exact Mass: 531.18
• IUPAC Name: 6-morpholin-4-yl-4-[3-(2-piperidin-1-ylethoxy)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dihydrochloride
• SMILES: Cl.Cl.c1cc(OCCN2CCCCC2)cc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1
• InChI: InChI=1S/C26H29N5O3.2ClH/c1-2-10-30(11-3-1)12-17-33-20-7-4-6-19(18-20)24-28-22-21-8-5-9-27-26(21)34-23(22)25(29-24)31-13-15-32-16-14-31;;/h4-9,18H,1-3,10-17H2;2*1H
• InChIKey: QWRUQJAMVISNCI-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 76.75 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.47
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-4-[3-(2-piperidin-1-ylethoxy)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dihydrochloride?

The IUPAC name of 6-morpholin-4-yl-4-[3-(2-piperidin-1-ylethoxy)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dihydrochloride (CID 90664543) is 6-morpholin-4-yl-4-[3-(2-piperidin-1-ylethoxy)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dihydrochloride.

What is the SMILES notation for 6-morpholin-4-yl-4-[3-(2-piperidin-1-ylethoxy)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dihydrochloride?

The canonical SMILES for 6-morpholin-4-yl-4-[3-(2-piperidin-1-ylethoxy)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dihydrochloride is Cl.Cl.c1cc(OCCN2CCCCC2)cc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1.

What is the InChIKey of 6-morpholin-4-yl-4-[3-(2-piperidin-1-ylethoxy)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dihydrochloride?

The InChIKey is QWRUQJAMVISNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3.2ClH/c1-2-10-30(11-3-1)12-17-33-20-7-4-6-19(18-20)24-28-22-21-8-5-9-27-26(21)34-23(22)25(29-24)31-13-15-32-16-14-31;;/h4-9,18H,1-3,10-17H2;2*1H.

What are the key properties of 6-morpholin-4-yl-4-[3-(2-piperidin-1-ylethoxy)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dihydrochloride?

6-morpholin-4-yl-4-[3-(2-piperidin-1-ylethoxy)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dihydrochloride has a molecular weight of 532.47 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-morpholin-4-yl-4-[3-(2-piperidin-1-ylethoxy)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dihydrochloride is sourced from PubChem (CID 90664543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).