1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine

C₁₄H₂₀ClFN₂ — CID 107370881

About 1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine

1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine (PubChem CID 107370881) has the molecular formula C₁₄H₂₀ClFN₂ and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

• Compound Name: 1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
• PubChem CID: 107370881
• Molecular Formula: C₁₄H₂₀ClFN₂
• Molecular Weight: 270.78 g/mol
• Exact Mass: 270.13
• IUPAC Name: 1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
• SMILES: CC1CN(c2cc(F)cc(Cl)c2)C(C(C)C)CN1
• InChI: InChI=1S/C14H20ClFN2/c1-9(2)14-7-17-10(3)8-18(14)13-5-11(15)4-12(16)6-13/h4-6,9-10,14,17H,7-8H2,1-3H3
• InChIKey: FEPTUAOJKXTRTM-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.78
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine?

The IUPAC name of 1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine (CID 107370881) is 1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine.

What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine?

The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine is CC1CN(c2cc(F)cc(Cl)c2)C(C(C)C)CN1.

What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine?

The InChIKey is FEPTUAOJKXTRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-9(2)14-7-17-10(3)8-18(14)13-5-11(15)4-12(16)6-13/h4-6,9-10,14,17H,7-8H2,1-3H3.

What are the key properties of 1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine?

1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 270.78 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 107370881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107370881 — identifiers, structure, computed properties (public domain)

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