2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyrazine

C11H16BrN3 — CID 83063668

IUPAC2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyrazine
SMILESCc1nccnc1N1CCCCC1CBr
InChIInChI=1S/C11H16BrN3/c1-9-11(14-6-5-13-9)15-7-3-2-4-10(15)8-12/h5-6,10H,2-4,7-8H2,1H3
InChIKeyQNBBHFVIQJOOCR-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.54
Rot. Bonds2

About 2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyrazine

2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyrazine (PubChem CID 83063668) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyrazine.

Molecular Properties

Compound Name2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyrazine
PubChem CID83063668
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyrazine
SMILESCc1nccnc1N1CCCCC1CBr
InChIInChI=1S/C11H16BrN3/c1-9-11(14-6-5-13-9)15-7-3-2-4-10(15)8-12/h5-6,10H,2-4,7-8H2,1H3
InChIKeyQNBBHFVIQJOOCR-UHFFFAOYSA-N
XLogP2.54
TPSA29.02 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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-methylpyrazin-2-yl)piperidin-2-yl]ethanol
CID 83064794
methyl 2-[1-(3-methylpyrazin-2-yl)piperidin-2-yl]acetate
CID 83063502
3-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]propan-1-ol
CID 83063494
5-bromo-2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyridine
CID 80676805
2-[2-(bromomethyl)azepan-1-yl]-3-methylquinoxaline
CID 116638816
3-[2-(bromomethyl)azepan-1-yl]-1-ethylpyrazin-2-one
CID 116638803
4-[2-(bromomethyl)azepan-1-yl]-1-methylimidazo[4,5-c]pyridine
CID 103386490
3-[2-(bromomethyl)piperidin-1-yl]-1-cyclopropylpyrazin-2-one
CID 80676138
4-[2-(bromomethyl)piperidin-1-yl]-6-ethoxy-5-methylpyrimidine
CID 80675882
1-[2-(bromomethyl)azepan-1-yl]-5-methoxyisoquinoline
CID 106543196
1-[2-(bromomethyl)azepan-1-yl]isoquinolin-7-ol
CID 106543195
3-[2-(bromomethyl)pyrrolidin-1-yl]-1-tert-butylpyrazin-2-one
CID 80667305

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyrazine?
The IUPAC name of 2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyrazine (CID 83063668) is 2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyrazine.
What is the SMILES notation for 2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyrazine?
The canonical SMILES for 2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyrazine is Cc1nccnc1N1CCCCC1CBr.
What is the InChIKey of 2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyrazine?
The InChIKey is QNBBHFVIQJOOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-9-11(14-6-5-13-9)15-7-3-2-4-10(15)8-12/h5-6,10H,2-4,7-8H2,1H3.
What are the key properties of 2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyrazine?
2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyrazine has a molecular weight of 270.17 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyrazine is sourced from PubChem (CID 83063668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).