2-[1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol

C20H25F2N3O — CID 45208876

About 2-[1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol

2-[1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol (PubChem CID 45208876) has the molecular formula C20H25F2N3O and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-[1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
• PubChem CID: 45208876
• Molecular Formula: C20H25F2N3O
• Molecular Weight: 361.44 g/mol
• Exact Mass: 361.20
• IUPAC Name: 2-[1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
• SMILES: Cc1cccc(CN2CCN(Cc3ccc(F)c(F)c3)C(CCO)C2)n1
• InChI: InChI=1S/C20H25F2N3O/c1-15-3-2-4-17(23-15)13-24-8-9-25(18(14-24)7-10-26)12-16-5-6-19(21)20(22)11-16/h2-6,11,18,26H,7-10,12-14H2,1H3
• InChIKey: AIPCXFAWUJOCKJ-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 39.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.44
LogP ≤ 5	2.74
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-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol?

The IUPAC name of 2-[1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol (CID 45208876) is 2-[1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol.

What is the SMILES notation for 2-[1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol?

The canonical SMILES for 2-[1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol is Cc1cccc(CN2CCN(Cc3ccc(F)c(F)c3)C(CCO)C2)n1.

What is the InChIKey of 2-[1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol?

The InChIKey is AIPCXFAWUJOCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O/c1-15-3-2-4-17(23-15)13-24-8-9-25(18(14-24)7-10-26)12-16-5-6-19(21)20(22)11-16/h2-6,11,18,26H,7-10,12-14H2,1H3.

What are the key properties of 2-[1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol?

2-[1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 361.44 g/mol, XLogP of 2.74, 6 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-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45208876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).