1,4-dimethyl-4-[4-[4-[4-[5,5,5-trifluoro-3-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylpentan-2-yl]phenyl]phenyl]phenyl]piperidine

C56H54F3N — CID 162606459

About 1,4-dimethyl-4-[4-[4-[4-[5,5,5-trifluoro-3-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylpentan-2-yl]phenyl]phenyl]phenyl]piperidine

1,4-dimethyl-4-[4-[4-[4-[5,5,5-trifluoro-3-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylpentan-2-yl]phenyl]phenyl]phenyl]piperidine (PubChem CID 162606459) has the molecular formula C56H54F3N and a molecular weight of 798.05 g/mol. Its IUPAC name is 1,4-dimethyl-4-[4-[4-[4-[5,5,5-trifluoro-3-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylpentan-2-yl]phenyl]phenyl]phenyl]piperidine.

Molecular Properties

• Compound Name: 1,4-dimethyl-4-[4-[4-[4-[5,5,5-trifluoro-3-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylpentan-2-yl]phenyl]phenyl]phenyl]piperidine
• PubChem CID: 162606459
• Molecular Formula: C56H54F3N
• Molecular Weight: 798.05 g/mol
• Exact Mass: 797.42
• IUPAC Name: 1,4-dimethyl-4-[4-[4-[4-[5,5,5-trifluoro-3-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylpentan-2-yl]phenyl]phenyl]phenyl]piperidine
• SMILES: Cc1ccc(-c2ccc(-c3ccc(C(c4ccccc4)(C(C)C(C)c4ccc(-c5ccc(-c6ccc(C7(C)CCN(C)CC7)cc6)cc5)cc4)C(F)(F)F)cc3)cc2)cc1
• InChI: InChI=1S/C56H54F3N/c1-39-11-13-43(14-12-39)45-19-23-48(24-20-45)50-29-33-53(34-30-50)55(56(57,58)59,52-9-7-6-8-10-52)41(3)40(2)42-15-17-44(18-16-42)46-21-25-47(26-22-46)49-27-31-51(32-28-49)54(4)35-37-60(5)38-36-54/h6-34,40-41H,35-38H2,1-5H3
• InChIKey: WVGIVPYHBPAJKO-UHFFFAOYSA-N
• XLogP: 14.93
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.05
LogP ≤ 5	14.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-4-[4-[4-[4-[5,5,5-trifluoro-3-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylpentan-2-yl]phenyl]phenyl]phenyl]piperidine?

The IUPAC name of 1,4-dimethyl-4-[4-[4-[4-[5,5,5-trifluoro-3-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylpentan-2-yl]phenyl]phenyl]phenyl]piperidine (CID 162606459) is 1,4-dimethyl-4-[4-[4-[4-[5,5,5-trifluoro-3-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylpentan-2-yl]phenyl]phenyl]phenyl]piperidine.

What is the SMILES notation for 1,4-dimethyl-4-[4-[4-[4-[5,5,5-trifluoro-3-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylpentan-2-yl]phenyl]phenyl]phenyl]piperidine?

The canonical SMILES for 1,4-dimethyl-4-[4-[4-[4-[5,5,5-trifluoro-3-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylpentan-2-yl]phenyl]phenyl]phenyl]piperidine is Cc1ccc(-c2ccc(-c3ccc(C(c4ccccc4)(C(C)C(C)c4ccc(-c5ccc(-c6ccc(C7(C)CCN(C)CC7)cc6)cc5)cc4)C(F)(F)F)cc3)cc2)cc1.

What is the InChIKey of 1,4-dimethyl-4-[4-[4-[4-[5,5,5-trifluoro-3-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylpentan-2-yl]phenyl]phenyl]phenyl]piperidine?

The InChIKey is WVGIVPYHBPAJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H54F3N/c1-39-11-13-43(14-12-39)45-19-23-48(24-20-45)50-29-33-53(34-30-50)55(56(57,58)59,52-9-7-6-8-10-52)41(3)40(2)42-15-17-44(18-16-42)46-21-25-47(26-22-46)49-27-31-51(32-28-49)54(4)35-37-60(5)38-36-54/h6-34,40-41H,35-38H2,1-5H3.

What are the key properties of 1,4-dimethyl-4-[4-[4-[4-[5,5,5-trifluoro-3-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylpentan-2-yl]phenyl]phenyl]phenyl]piperidine?

1,4-dimethyl-4-[4-[4-[4-[5,5,5-trifluoro-3-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylpentan-2-yl]phenyl]phenyl]phenyl]piperidine has a molecular weight of 798.05 g/mol, XLogP of 14.93, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethyl-4-[4-[4-[4-[5,5,5-trifluoro-3-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylpentan-2-yl]phenyl]phenyl]phenyl]piperidine is sourced from PubChem (CID 162606459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).