1-(4-bromo-2,3-difluorophenyl)-4-heptylpiperazine

C₁₇H₂₅BrF₂N₂ — CID 155675755

About 1-(4-bromo-2,3-difluorophenyl)-4-heptylpiperazine

1-(4-bromo-2,3-difluorophenyl)-4-heptylpiperazine (PubChem CID 155675755) has the molecular formula C₁₇H₂₅BrF₂N₂ and a molecular weight of 375.30 g/mol. Its IUPAC name is 1-(4-bromo-2,3-difluorophenyl)-4-heptylpiperazine.

Molecular Properties

• Compound Name: 1-(4-bromo-2,3-difluorophenyl)-4-heptylpiperazine
• PubChem CID: 155675755
• Molecular Formula: C₁₇H₂₅BrF₂N₂
• Molecular Weight: 375.30 g/mol
• Exact Mass: 374.12
• IUPAC Name: 1-(4-bromo-2,3-difluorophenyl)-4-heptylpiperazine
• SMILES: CCCCCCCN1CCN(c2ccc(Br)c(F)c2F)CC1
• InChI: InChI=1S/C17H25BrF2N2/c1-2-3-4-5-6-9-21-10-12-22(13-11-21)15-8-7-14(18)16(19)17(15)20/h7-8H,2-6,9-13H2,1H3
• InChIKey: DYXXNCYLHKEKDR-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.30
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,3-difluorophenyl)-4-heptylpiperazine?

The IUPAC name of 1-(4-bromo-2,3-difluorophenyl)-4-heptylpiperazine (CID 155675755) is 1-(4-bromo-2,3-difluorophenyl)-4-heptylpiperazine.

What is the SMILES notation for 1-(4-bromo-2,3-difluorophenyl)-4-heptylpiperazine?

The canonical SMILES for 1-(4-bromo-2,3-difluorophenyl)-4-heptylpiperazine is CCCCCCCN1CCN(c2ccc(Br)c(F)c2F)CC1.

What is the InChIKey of 1-(4-bromo-2,3-difluorophenyl)-4-heptylpiperazine?

The InChIKey is DYXXNCYLHKEKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrF2N2/c1-2-3-4-5-6-9-21-10-12-22(13-11-21)15-8-7-14(18)16(19)17(15)20/h7-8H,2-6,9-13H2,1H3.

What are the key properties of 1-(4-bromo-2,3-difluorophenyl)-4-heptylpiperazine?

1-(4-bromo-2,3-difluorophenyl)-4-heptylpiperazine has a molecular weight of 375.30 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-bromo-2,3-difluorophenyl)-4-heptylpiperazine is sourced from PubChem (CID 155675755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155675755 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.