bis(N-[4-(trifluoromethoxy)phenyl]-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine);dihydrochloride

C86H94Cl2F6N6O14 — CID 160782025

About bis(N-[4-(trifluoromethoxy)phenyl]-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine);dihydrochloride

bis(N-[4-(trifluoromethoxy)phenyl]-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine);dihydrochloride (PubChem CID 160782025) has the molecular formula C86H94Cl2F6N6O14 and a molecular weight of 1620.62 g/mol. Its IUPAC name is bis(N-[4-(trifluoromethoxy)phenyl]-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine);dihydrochloride.

Molecular Properties

• Compound Name: bis(N-[4-(trifluoromethoxy)phenyl]-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine);dihydrochloride
• PubChem CID: 160782025
• Molecular Formula: C86H94Cl2F6N6O14
• Molecular Weight: 1620.62 g/mol
• Exact Mass: 1618.61
• IUPAC Name: bis(N-[4-(trifluoromethoxy)phenyl]-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine);dihydrochloride
• SMILES: COc1cc(-c2cccc(CN(c3ccc(OC(F)(F)F)cc3)C3CCN(Cc4ccnc(-c5cc(OC)c(OC)c(OC)c5)c4)CC3)c2)cc(OC)c1OC.COc1cc(-c2cccc(CN(c3ccc(OC(F)(F)F)cc3)C3CCN(Cc4ccnc(-c5cc(OC)c(OC)c(OC)c5)c4)CC3)c2)cc(OC)c1OC.Cl.Cl
• InChI: InChI=1S/2C43H46F3N3O7.2ClH/c2*1-50-37-22-31(23-38(51-2)41(37)54-5)30-9-7-8-28(20-30)27-49(33-10-12-35(13-11-33)56-43(44,45)46)34-15-18-48(19-16-34)26-29-14-17-47-36(21-29)32-24-39(52-3)42(55-6)40(25-32)53-4;;/h2*7-14,17,20-25,34H,15-16,18-19,26-27H2,1-6H3;2*1H
• InChIKey: LJBNZIVPSHQNHS-UHFFFAOYSA-N
• XLogP: 18.92
• TPSA: 167.96 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 30
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1620.62
LogP ≤ 5	18.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(N-[4-(trifluoromethoxy)phenyl]-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine);dihydrochloride?

The IUPAC name of bis(N-[4-(trifluoromethoxy)phenyl]-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine);dihydrochloride (CID 160782025) is bis(N-[4-(trifluoromethoxy)phenyl]-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine);dihydrochloride.

What is the SMILES notation for bis(N-[4-(trifluoromethoxy)phenyl]-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine);dihydrochloride?

The canonical SMILES for bis(N-[4-(trifluoromethoxy)phenyl]-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine);dihydrochloride is COc1cc(-c2cccc(CN(c3ccc(OC(F)(F)F)cc3)C3CCN(Cc4ccnc(-c5cc(OC)c(OC)c(OC)c5)c4)CC3)c2)cc(OC)c1OC.COc1cc(-c2cccc(CN(c3ccc(OC(F)(F)F)cc3)C3CCN(Cc4ccnc(-c5cc(OC)c(OC)c(OC)c5)c4)CC3)c2)cc(OC)c1OC.Cl.Cl.

What is the InChIKey of bis(N-[4-(trifluoromethoxy)phenyl]-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine);dihydrochloride?

The InChIKey is LJBNZIVPSHQNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C43H46F3N3O7.2ClH/c2*1-50-37-22-31(23-38(51-2)41(37)54-5)30-9-7-8-28(20-30)27-49(33-10-12-35(13-11-33)56-43(44,45)46)34-15-18-48(19-16-34)26-29-14-17-47-36(21-29)32-24-39(52-3)42(55-6)40(25-32)53-4;;/h2*7-14,17,20-25,34H,15-16,18-19,26-27H2,1-6H3;2*1H.

What are the key properties of bis(N-[4-(trifluoromethoxy)phenyl]-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine);dihydrochloride?

bis(N-[4-(trifluoromethoxy)phenyl]-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine);dihydrochloride has a molecular weight of 1620.62 g/mol, XLogP of 18.92, 30 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[4-(trifluoromethoxy)phenyl]-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine);dihydrochloride is sourced from PubChem (CID 160782025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).