(2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone

C26H27FN2O3 — CID 125019122

About (2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone

(2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 125019122) has the molecular formula C26H27FN2O3 and a molecular weight of 434.51 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
• PubChem CID: 125019122
• Molecular Formula: C26H27FN2O3
• Molecular Weight: 434.51 g/mol
• Exact Mass: 434.20
• IUPAC Name: (2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
• SMILES: COc1ccc(OC)c(C(=O)N2CCC[C@@H](c3cc(-c4ccc(F)cc4)cc(C)n3)C2)c1
• InChI: InChI=1S/C26H27FN2O3/c1-17-13-20(18-6-8-21(27)9-7-18)14-24(28-17)19-5-4-12-29(16-19)26(30)23-15-22(31-2)10-11-25(23)32-3/h6-11,13-15,19H,4-5,12,16H2,1-3H3/t19-/m1/s1
• InChIKey: XTTBGRRKZPCORN-LJQANCHMSA-N
• XLogP: 5.23
• TPSA: 51.66 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.51
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?

The IUPAC name of (2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone (CID 125019122) is (2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone.

What is the SMILES notation for (2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?

The canonical SMILES for (2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone is COc1ccc(OC)c(C(=O)N2CCC[C@@H](c3cc(-c4ccc(F)cc4)cc(C)n3)C2)c1.

What is the InChIKey of (2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?

The InChIKey is XTTBGRRKZPCORN-LJQANCHMSA-N. The full InChI is InChI=1S/C26H27FN2O3/c1-17-13-20(18-6-8-21(27)9-7-18)14-24(28-17)19-5-4-12-29(16-19)26(30)23-15-22(31-2)10-11-25(23)32-3/h6-11,13-15,19H,4-5,12,16H2,1-3H3/t19-/m1/s1.

What are the key properties of (2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?

(2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 434.51 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 125019122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).