3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine

C11H16BrN3 — CID 80670031

IUPAC3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CCC(CBr)CC2)nn1
InChIInChI=1S/C11H16BrN3/c1-9-2-3-11(14-13-9)15-6-4-10(8-12)5-7-15/h2-3,10H,4-8H2,1H3
InChIKeyUQBPGHTZONWGNJ-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.40
Rot. Bonds2

About 3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine

3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine (PubChem CID 80670031) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine.

Molecular Properties

Compound Name3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine
PubChem CID80670031
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CCC(CBr)CC2)nn1
InChIInChI=1S/C11H16BrN3/c1-9-2-3-11(14-13-9)15-6-4-10(8-12)5-7-15/h2-3,10H,4-8H2,1H3
InChIKeyUQBPGHTZONWGNJ-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
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

1-(6-methylpyridazin-3-yl)piperidin-4-amine
CID 61311173
3-methyl-6-(4-methylpiperidin-1-yl)pyridazine
CID 59712116
3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propan-1-ol
CID 19773570
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342238
3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine
CID 171069967
2-[4-(bromomethyl)piperidin-1-yl]-4-methylpyridine
CID 80668447
3-methyl-6-(4-prop-1-en-2-ylpiperidin-1-yl)pyridazine
CID 89276627
3-[2-(bromomethyl)piperidin-1-yl]-6-methylpyridazine
CID 80676121
4-(6-methylpyridazin-3-yl)thiomorpholine
CID 143735554
2-[4-(bromomethyl)piperidin-1-yl]-5-fluoropyridine
CID 80668710
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanol
CID 61313722
3-[4-(2-chloroethoxy)piperidin-1-yl]-6-methylpyridazine
CID 82701305

Frequently Asked Questions

What is the IUPAC name of 3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine?
The IUPAC name of 3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine (CID 80670031) is 3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine.
What is the SMILES notation for 3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine?
The canonical SMILES for 3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine is Cc1ccc(N2CCC(CBr)CC2)nn1.
What is the InChIKey of 3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine?
The InChIKey is UQBPGHTZONWGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-9-2-3-11(14-13-9)15-6-4-10(8-12)5-7-15/h2-3,10H,4-8H2,1H3.
What are the key properties of 3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine?
3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine has a molecular weight of 270.17 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine is sourced from PubChem (CID 80670031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).