[4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone

C11H14BrN3O — CID 104672545

IUPAC[4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCC(CBr)CC1
InChIInChI=1S/C11H14BrN3O/c12-7-9-2-5-15(6-3-9)11(16)10-1-4-13-14-8-10/h1,4,8-9H,2-3,5-7H2
InChIKeyXYWCMQMRYJJGNN-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.72
Rot. Bonds2

About [4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone

[4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone (PubChem CID 104672545) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is [4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
PubChem CID104672545
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name[4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCC(CBr)CC1
InChIInChI=1S/C11H14BrN3O/c12-7-9-2-5-15(6-3-9)11(16)10-1-4-13-14-8-10/h1,4,8-9H,2-3,5-7H2
InChIKeyXYWCMQMRYJJGNN-UHFFFAOYSA-N
XLogP1.72
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104672520
[4-(2-bromoethoxy)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104672782
[4-(bromomethyl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 80678679
(3-bromopyrrolidin-1-yl)-pyridazin-4-ylmethanone
CID 104672542
[4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 80677526
N'-hydroxy-1-(pyridazine-4-carbonyl)piperidine-4-carboximidamide
CID 113439455
[4-(propylamino)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104668815
[3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 104671679
morpholin-4-yl(pyridazin-4-yl)methanone
CID 115736040
(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155
[(4R)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-pyridazin-4-ylmethanone
CID 124988881
pyridazin-4-yl-[(4S)-4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
CID 125000665

Frequently Asked Questions

What is the IUPAC name of [4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone (CID 104672545) is [4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)N1CCC(CBr)CC1.
What is the InChIKey of [4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone?
The InChIKey is XYWCMQMRYJJGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c12-7-9-2-5-15(6-3-9)11(16)10-1-4-13-14-8-10/h1,4,8-9H,2-3,5-7H2.
What are the key properties of [4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone?
[4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone has a molecular weight of 284.16 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 104672545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).