2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-ethylfuran-2-yl)methyl]piperazin-2-yl]ethanol

C20H26F2N2O2 — CID 45217777

About 2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-ethylfuran-2-yl)methyl]piperazin-2-yl]ethanol

2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-ethylfuran-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 45217777) has the molecular formula C20H26F2N2O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-ethylfuran-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-ethylfuran-2-yl)methyl]piperazin-2-yl]ethanol
• PubChem CID: 45217777
• Molecular Formula: C20H26F2N2O2
• Molecular Weight: 364.44 g/mol
• Exact Mass: 364.20
• IUPAC Name: 2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-ethylfuran-2-yl)methyl]piperazin-2-yl]ethanol
• SMILES: CCc1ccc(CN2CCN(Cc3ccc(F)c(F)c3)C(CCO)C2)o1
• InChI: InChI=1S/C20H26F2N2O2/c1-2-17-4-5-18(26-17)14-23-8-9-24(16(13-23)7-10-25)12-15-3-6-19(21)20(22)11-15/h3-6,11,16,25H,2,7-10,12-14H2,1H3
• InChIKey: JUAHKOSBSOSJAU-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 39.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.44
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-ethylfuran-2-yl)methyl]piperazin-2-yl]ethanol?

The IUPAC name of 2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-ethylfuran-2-yl)methyl]piperazin-2-yl]ethanol (CID 45217777) is 2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-ethylfuran-2-yl)methyl]piperazin-2-yl]ethanol.

What is the SMILES notation for 2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-ethylfuran-2-yl)methyl]piperazin-2-yl]ethanol?

The canonical SMILES for 2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-ethylfuran-2-yl)methyl]piperazin-2-yl]ethanol is CCc1ccc(CN2CCN(Cc3ccc(F)c(F)c3)C(CCO)C2)o1.

What is the InChIKey of 2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-ethylfuran-2-yl)methyl]piperazin-2-yl]ethanol?

The InChIKey is JUAHKOSBSOSJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O2/c1-2-17-4-5-18(26-17)14-23-8-9-24(16(13-23)7-10-25)12-15-3-6-19(21)20(22)11-15/h3-6,11,16,25H,2,7-10,12-14H2,1H3.

What are the key properties of 2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-ethylfuran-2-yl)methyl]piperazin-2-yl]ethanol?

2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-ethylfuran-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 364.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-ethylfuran-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45217777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).