[3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone

C26H26F3N3O — CID 124966949

About [3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone

[3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 124966949) has the molecular formula C26H26F3N3O and a molecular weight of 453.51 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
• PubChem CID: 124966949
• Molecular Formula: C26H26F3N3O
• Molecular Weight: 453.51 g/mol
• Exact Mass: 453.20
• IUPAC Name: [3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
• SMILES: CN(C)c1cccc(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)c1
• InChI: InChI=1S/C26H26F3N3O/c1-31(2)22-11-4-8-19(16-22)25(33)32-14-6-9-20(17-32)24-13-5-12-23(30-24)18-7-3-10-21(15-18)26(27,28)29/h3-5,7-8,10-13,15-16,20H,6,9,14,17H2,1-2H3/t20-/m1/s1
• InChIKey: IPHQGHUJBCJLGZ-HXUWFJFHSA-N
• XLogP: 5.85
• TPSA: 36.44 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.51
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone?

The IUPAC name of [3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone (CID 124966949) is [3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone.

What is the SMILES notation for [3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone?

The canonical SMILES for [3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone is CN(C)c1cccc(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)c1.

What is the InChIKey of [3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone?

The InChIKey is IPHQGHUJBCJLGZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H26F3N3O/c1-31(2)22-11-4-8-19(16-22)25(33)32-14-6-9-20(17-32)24-13-5-12-23(30-24)18-7-3-10-21(15-18)26(27,28)29/h3-5,7-8,10-13,15-16,20H,6,9,14,17H2,1-2H3/t20-/m1/s1.

What are the key properties of [3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone?

[3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 453.51 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 124966949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).