cyclohexyl-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone

C25H29F3N2O — CID 110093302

About cyclohexyl-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone

cyclohexyl-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 110093302) has the molecular formula C25H29F3N2O and a molecular weight of 430.51 g/mol. Its IUPAC name is cyclohexyl-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclohexyl-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
• PubChem CID: 110093302
• Molecular Formula: C25H29F3N2O
• Molecular Weight: 430.51 g/mol
• Exact Mass: 430.22
• IUPAC Name: cyclohexyl-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
• SMILES: O=C(C1CCCCC1)N1CCCC(c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1
• InChI: InChI=1S/C25H29F3N2O/c26-25(27,28)22-10-4-6-18(15-22)14-19-11-12-23(29-16-19)21-9-5-13-30(17-21)24(31)20-7-2-1-3-8-20/h4,6,10-12,15-16,20-21H,1-3,5,7-9,13-14,17H2
• InChIKey: KOVWMZARKMJIMY-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 33.20 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.51
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone?

The IUPAC name of cyclohexyl-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone (CID 110093302) is cyclohexyl-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone.

What is the SMILES notation for cyclohexyl-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone?

The canonical SMILES for cyclohexyl-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCCC(c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1.

What is the InChIKey of cyclohexyl-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone?

The InChIKey is KOVWMZARKMJIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N2O/c26-25(27,28)22-10-4-6-18(15-22)14-19-11-12-23(29-16-19)21-9-5-13-30(17-21)24(31)20-7-2-1-3-8-20/h4,6,10-12,15-16,20-21H,1-3,5,7-9,13-14,17H2.

What are the key properties of cyclohexyl-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone?

cyclohexyl-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 430.51 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110093302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).