(2R)-1,2-bis(4-fluorophenyl)-N,N'-bis[[4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methyl]-1,2-dipyridin-2-ylethane-1,2-diamine

C56H60F8N6O2 — CID 137423584

About (2R)-1,2-bis(4-fluorophenyl)-N,N'-bis[[4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methyl]-1,2-dipyridin-2-ylethane-1,2-diamine

(2R)-1,2-bis(4-fluorophenyl)-N,N'-bis[[4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methyl]-1,2-dipyridin-2-ylethane-1,2-diamine (PubChem CID 137423584) has the molecular formula C56H60F8N6O2 and a molecular weight of 1001.12 g/mol. Its IUPAC name is (2R)-1,2-bis(4-fluorophenyl)-N,N'-bis[[4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methyl]-1,2-dipyridin-2-ylethane-1,2-diamine.

Molecular Properties

• Compound Name: (2R)-1,2-bis(4-fluorophenyl)-N,N'-bis[[4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methyl]-1,2-dipyridin-2-ylethane-1,2-diamine
• PubChem CID: 137423584
• Molecular Formula: C56H60F8N6O2
• Molecular Weight: 1001.12 g/mol
• Exact Mass: 1000.47
• IUPAC Name: (2R)-1,2-bis(4-fluorophenyl)-N,N'-bis[[4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methyl]-1,2-dipyridin-2-ylethane-1,2-diamine
• SMILES: CC1(CNC(c2ccc(F)cc2)(c2ccccn2)[C@](NCC2(C)CCN(CCOc3ccccc3C(F)(F)F)CC2)(c2ccc(F)cc2)c2ccccn2)CCN(CCOc2ccccc2C(F)(F)F)CC1
• InChI: InChI=1S/C56H60F8N6O2/c1-51(25-31-69(32-26-51)35-37-71-47-13-5-3-11-45(47)55(59,60)61)39-67-53(49-15-7-9-29-65-49,41-17-21-43(57)22-18-41)54(50-16-8-10-30-66-50,42-19-23-44(58)24-20-42)68-40-52(2)27-33-70(34-28-52)36-38-72-48-14-6-4-12-46(48)56(62,63)64/h3-24,29-30,67-68H,25-28,31-40H2,1-2H3/t53-,54?/m0/s1
• InChIKey: BJFSOVSGSSBXJI-AVRFZLNTSA-N
• XLogP: 11.52
• TPSA: 74.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1001.12
LogP ≤ 5	11.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-bis(4-fluorophenyl)-N,N'-bis[[4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methyl]-1,2-dipyridin-2-ylethane-1,2-diamine?

The IUPAC name of (2R)-1,2-bis(4-fluorophenyl)-N,N'-bis[[4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methyl]-1,2-dipyridin-2-ylethane-1,2-diamine (CID 137423584) is (2R)-1,2-bis(4-fluorophenyl)-N,N'-bis[[4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methyl]-1,2-dipyridin-2-ylethane-1,2-diamine.

What is the SMILES notation for (2R)-1,2-bis(4-fluorophenyl)-N,N'-bis[[4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methyl]-1,2-dipyridin-2-ylethane-1,2-diamine?

The canonical SMILES for (2R)-1,2-bis(4-fluorophenyl)-N,N'-bis[[4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methyl]-1,2-dipyridin-2-ylethane-1,2-diamine is CC1(CNC(c2ccc(F)cc2)(c2ccccn2)[C@](NCC2(C)CCN(CCOc3ccccc3C(F)(F)F)CC2)(c2ccc(F)cc2)c2ccccn2)CCN(CCOc2ccccc2C(F)(F)F)CC1.

What is the InChIKey of (2R)-1,2-bis(4-fluorophenyl)-N,N'-bis[[4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methyl]-1,2-dipyridin-2-ylethane-1,2-diamine?

The InChIKey is BJFSOVSGSSBXJI-AVRFZLNTSA-N. The full InChI is InChI=1S/C56H60F8N6O2/c1-51(25-31-69(32-26-51)35-37-71-47-13-5-3-11-45(47)55(59,60)61)39-67-53(49-15-7-9-29-65-49,41-17-21-43(57)22-18-41)54(50-16-8-10-30-66-50,42-19-23-44(58)24-20-42)68-40-52(2)27-33-70(34-28-52)36-38-72-48-14-6-4-12-46(48)56(62,63)64/h3-24,29-30,67-68H,25-28,31-40H2,1-2H3/t53-,54?/m0/s1.

What are the key properties of (2R)-1,2-bis(4-fluorophenyl)-N,N'-bis[[4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methyl]-1,2-dipyridin-2-ylethane-1,2-diamine?

(2R)-1,2-bis(4-fluorophenyl)-N,N'-bis[[4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methyl]-1,2-dipyridin-2-ylethane-1,2-diamine has a molecular weight of 1001.12 g/mol, XLogP of 11.52, 19 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1,2-bis(4-fluorophenyl)-N,N'-bis[[4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methyl]-1,2-dipyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 137423584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).