1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine

C₁₆H₂₆BrN₃ — CID 114537143

About 1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine

1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine (PubChem CID 114537143) has the molecular formula C₁₆H₂₆BrN₃ and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine.

Molecular Properties

• Compound Name: 1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine
• PubChem CID: 114537143
• Molecular Formula: C₁₆H₂₆BrN₃
• Molecular Weight: 340.31 g/mol
• Exact Mass: 339.13
• IUPAC Name: 1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine
• SMILES: CC(N)C(c1ccc(Br)cc1)N1CC(C)N(C)C(C)C1
• InChI: InChI=1S/C16H26BrN3/c1-11-9-20(10-12(2)19(11)4)16(13(3)18)14-5-7-15(17)8-6-14/h5-8,11-13,16H,9-10,18H2,1-4H3
• InChIKey: DTVWQWVQHCHLHF-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 32.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.31
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine?

The IUPAC name of 1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine (CID 114537143) is 1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine.

What is the SMILES notation for 1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine?

The canonical SMILES for 1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine is CC(N)C(c1ccc(Br)cc1)N1CC(C)N(C)C(C)C1.

What is the InChIKey of 1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine?

The InChIKey is DTVWQWVQHCHLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-11-9-20(10-12(2)19(11)4)16(13(3)18)14-5-7-15(17)8-6-14/h5-8,11-13,16H,9-10,18H2,1-4H3.

What are the key properties of 1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine?

1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine has a molecular weight of 340.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-bromophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 114537143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 114537143 — identifiers, structure, computed properties (public domain)

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