6-chloro-N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;trihydrochloride

C33H45Cl4N3O2 — CID 90665154

About 6-chloro-N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;trihydrochloride

6-chloro-N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;trihydrochloride (PubChem CID 90665154) has the molecular formula C33H45Cl4N3O2 and a molecular weight of 657.55 g/mol. Its IUPAC name is 6-chloro-N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;trihydrochloride.

Molecular Properties

• Compound Name: 6-chloro-N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;trihydrochloride
• PubChem CID: 90665154
• Molecular Formula: C33H45Cl4N3O2
• Molecular Weight: 657.55 g/mol
• Exact Mass: 655.23
• IUPAC Name: 6-chloro-N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;trihydrochloride
• SMILES: COc1cc2c(cc1OC)CC(CC1CCN(CCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)CC1)C2.Cl.Cl.Cl
• InChI: InChI=1S/C33H42ClN3O2.3ClH/c1-38-31-19-24-17-23(18-25(24)20-32(31)39-2)16-22-10-14-37(15-11-22)13-5-12-35-33-27-6-3-4-7-29(27)36-30-21-26(34)8-9-28(30)33;;;/h8-9,19-23H,3-7,10-18H2,1-2H3,(H,35,36);3*1H
• InChIKey: UNPYJKUHYOWCTE-UHFFFAOYSA-N
• XLogP: 8.37
• TPSA: 46.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.55
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;trihydrochloride?

The IUPAC name of 6-chloro-N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;trihydrochloride (CID 90665154) is 6-chloro-N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;trihydrochloride.

What is the SMILES notation for 6-chloro-N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;trihydrochloride?

The canonical SMILES for 6-chloro-N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;trihydrochloride is COc1cc2c(cc1OC)CC(CC1CCN(CCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)CC1)C2.Cl.Cl.Cl.

What is the InChIKey of 6-chloro-N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;trihydrochloride?

The InChIKey is UNPYJKUHYOWCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42ClN3O2.3ClH/c1-38-31-19-24-17-23(18-25(24)20-32(31)39-2)16-22-10-14-37(15-11-22)13-5-12-35-33-27-6-3-4-7-29(27)36-30-21-26(34)8-9-28(30)33;;;/h8-9,19-23H,3-7,10-18H2,1-2H3,(H,35,36);3*1H.

What are the key properties of 6-chloro-N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;trihydrochloride?

6-chloro-N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;trihydrochloride has a molecular weight of 657.55 g/mol, XLogP of 8.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;trihydrochloride is sourced from PubChem (CID 90665154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).