2-[2-benzyl-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile

C31H34N2O2 — CID 159925868

About 2-[2-benzyl-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile

2-[2-benzyl-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile (PubChem CID 159925868) has the molecular formula C31H34N2O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 2-[2-benzyl-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile.

Molecular Properties

• Compound Name: 2-[2-benzyl-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile
• PubChem CID: 159925868
• Molecular Formula: C31H34N2O2
• Molecular Weight: 466.63 g/mol
• Exact Mass: 466.26
• IUPAC Name: 2-[2-benzyl-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile
• SMILES: CC1(C)CC(CC(=O)c2ccc(Oc3ccccc3C#N)c(Cc3ccccc3)c2)CC(C)(C)N1
• InChI: InChI=1S/C31H34N2O2/c1-30(2)19-23(20-31(3,4)33-30)17-27(34)24-14-15-29(35-28-13-9-8-12-25(28)21-32)26(18-24)16-22-10-6-5-7-11-22/h5-15,18,23,33H,16-17,19-20H2,1-4H3
• InChIKey: NYZTVCIIOYJSOX-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 62.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.63
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2-benzyl-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile?

The IUPAC name of 2-[2-benzyl-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile (CID 159925868) is 2-[2-benzyl-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile.

What is the SMILES notation for 2-[2-benzyl-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile?

The canonical SMILES for 2-[2-benzyl-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile is CC1(C)CC(CC(=O)c2ccc(Oc3ccccc3C#N)c(Cc3ccccc3)c2)CC(C)(C)N1.

What is the InChIKey of 2-[2-benzyl-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile?

The InChIKey is NYZTVCIIOYJSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O2/c1-30(2)19-23(20-31(3,4)33-30)17-27(34)24-14-15-29(35-28-13-9-8-12-25(28)21-32)26(18-24)16-22-10-6-5-7-11-22/h5-15,18,23,33H,16-17,19-20H2,1-4H3.

What are the key properties of 2-[2-benzyl-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile?

2-[2-benzyl-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile has a molecular weight of 466.63 g/mol, XLogP of 7.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-benzyl-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile is sourced from PubChem (CID 159925868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).