Lomerizine

C₂₇H₃₀F₂N₂O₃ — CID 3949

About Lomerizine

Lomerizine (PubChem CID 3949) has the molecular formula C₂₇H₃₀F₂N₂O₃ and a molecular weight of 468.54 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

• Compound Name: Lomerizine
• PubChem CID: 3949
• Molecular Formula: C₂₇H₃₀F₂N₂O₃
• Molecular Weight: 468.54 g/mol
• Exact Mass: 468.22
• IUPAC Name: 1-[bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
• SMILES: COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC
• InChI: InChI=1S/C27H30F2N2O3/c1-32-24-13-8-21(26(33-2)27(24)34-3)18-30-14-16-31(17-15-30)25(19-4-9-22(28)10-5-19)20-6-11-23(29)12-7-20/h4-13,25H,14-18H2,1-3H3
• InChIKey: JQSAYKKFZOSZGJ-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 34.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.54
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Lomerizine?

The IUPAC name of Lomerizine (CID 3949) is 1-[bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.

What is the SMILES notation for Lomerizine?

The canonical SMILES for Lomerizine is COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC.

What is the InChIKey of Lomerizine?

The InChIKey is JQSAYKKFZOSZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N2O3/c1-32-24-13-8-21(26(33-2)27(24)34-3)18-30-14-16-31(17-15-30)25(19-4-9-22(28)10-5-19)20-6-11-23(29)12-7-20/h4-13,25H,14-18H2,1-3H3.

What are the key properties of Lomerizine?

Lomerizine has a molecular weight of 468.54 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Lomerizine is sourced from PubChem (CID 3949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3949 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1595 — approved-drug record (CC BY-SA 4.0)

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