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

C11H14BrN3O — CID 104672520

IUPAC[3-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCCC(CBr)C1
InChIInChI=1S/C11H14BrN3O/c12-6-9-2-1-5-15(8-9)11(16)10-3-4-13-14-7-10/h3-4,7,9H,1-2,5-6,8H2
InChIKeyKCEKUNDYEARSMF-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.72
Rot. Bonds2

About [3-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone

[3-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone (PubChem CID 104672520) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is [3-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[3-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
PubChem CID104672520
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name[3-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCCC(CBr)C1
InChIInChI=1S/C11H14BrN3O/c12-6-9-2-1-5-15(8-9)11(16)10-3-4-13-14-7-10/h3-4,7,9H,1-2,5-6,8H2
InChIKeyKCEKUNDYEARSMF-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'}

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Related Compounds

[4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104672545
[3-(bromomethyl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 80661392
[3-(bromomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 80660595
[3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 80660201
[3-(bromomethyl)piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 80660500
[3-(bromomethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 80660398
(3-bromopyrrolidin-1-yl)-pyridazin-4-ylmethanone
CID 104672542
[3-(bromomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122473
pyridazin-4-yl-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 124963944
[3-(bromomethyl)piperidin-1-yl]-(3-bromo-2-pyridinyl)methanone
CID 107526191
[3-(chloromethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 63392979
[3-(bromomethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830750

Frequently Asked Questions

What is the IUPAC name of [3-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [3-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone (CID 104672520) is [3-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [3-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [3-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)N1CCCC(CBr)C1.
What is the InChIKey of [3-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone?
The InChIKey is KCEKUNDYEARSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c12-6-9-2-1-5-15(8-9)11(16)10-3-4-13-14-7-10/h3-4,7,9H,1-2,5-6,8H2.
What are the key properties of [3-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone?
[3-(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 [3-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 104672520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).