1-(5-Bromopyridin-3-yl)-4-methylpiperazine

• CAS: 1130759-48-6
• Catalog Number: ACM1130759486
• Category: Bromine Series
• Molecular Weight: 256.14226
• Molecular Formula: C₁₀H₁₄BrN₃
• Synonyms: 1-(5-bromopyridin-3-yl)-4-methylpiperazine;1-(5-Bromo-3-pyridinyl)-4-methylpiperazine
• IUPAC Name: 1-(5-bromopyridin-3-yl)-4-methylpiperazine
• Canonical SMILES: CN1CCN(CC1)C2=CC(=CN=C2)Br
• InChI Key: OJCUHUIYERGNRZ-UHFFFAOYSA-N
• Exact Mass: 255.03700
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of the compound described in the reference?

The molecular formula is C10H14BrN3.

What is the molecular weight of the compound?

The molecular weight is 256.14 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 1-(5-bromopyridin-3-yl)-4-methylpiperazine.

What is the InChI of the compound?

The InChI is InChI=1S/C10H14BrN3/c1-13-2-4-14(5-3-13)10-6-9(11)7-12-8-10/h6-8H,2-5H2,1H3.

What is the InChIKey of the compound?

The InChIKey is OJCUHUIYERGNRZ-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CN1CCN(CC1)C2=CC(=CN=C2)Br.

What is the CAS number of the compound?

The CAS number is 1130759-48-6.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID is DTXSID50704506.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 1.5.

Is the compound canonicalized?

Yes, the compound is canonicalized.