1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine

C11H16BrN3 — CID 23438151

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2ccc(Br)cn2)CC1
InChIInChI=1S/C11H16BrN3/c1-14-4-6-15(7-5-14)9-11-3-2-10(12)8-13-11/h2-3,8H,4-7,9H2,1H3
InChIKeyCKBZPUIXYCEOCM-UHFFFAOYSA-N
MW270.17 g/mol
LogP1.59
Rot. Bonds2

About 1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine

1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine (PubChem CID 23438151) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
PubChem CID23438151
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2ccc(Br)cn2)CC1
InChIInChI=1S/C11H16BrN3/c1-14-4-6-15(7-5-14)9-11-3-2-10(12)8-13-11/h2-3,8H,4-7,9H2,1H3
InChIKeyCKBZPUIXYCEOCM-UHFFFAOYSA-N
XLogP1.59
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine (CID 23438151) is 1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine is CN1CCN(Cc2ccc(Br)cn2)CC1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine?
The InChIKey is CKBZPUIXYCEOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-14-4-6-15(7-5-14)9-11-3-2-10(12)8-13-11/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine?
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine has a molecular weight of 270.17 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 23438151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).