(5-bromo-3-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone

C12H15BrN2O2 — CID 113344085

IUPAC(5-bromo-3-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)c2cncc(Br)c2)C1
InChIInChI=1S/C12H15BrN2O2/c1-12(17)3-2-4-15(8-12)11(16)9-5-10(13)7-14-6-9/h5-7,17H,2-4,8H2,1H3
InChIKeyFXZWXFUCZJPYOA-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.83
Rot. Bonds1

About (5-bromo-3-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone

(5-bromo-3-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 113344085) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID113344085
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name(5-bromo-3-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)c2cncc(Br)c2)C1
InChIInChI=1S/C12H15BrN2O2/c1-12(17)3-2-4-15(8-12)11(16)9-5-10(13)7-14-6-9/h5-7,17H,2-4,8H2,1H3
InChIKeyFXZWXFUCZJPYOA-UHFFFAOYSA-N
XLogP1.83
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-bromo-3-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone 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-bromo-5-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113463392
(3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875011
(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115875110
(5-bromo-3-pyridinyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 115683389
(4-hydroxy-4-methylazepan-1-yl)-(5-methyl-3-pyridinyl)methanone
CID 107406442
(5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23907944
(3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 115875217
(3,4-dihydroxyphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 103958250
(2-amino-5-bromo-4-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114194040
(3-hydroxy-3-methylpiperidin-1-yl)-(4-sulfanylphenyl)methanone
CID 107036053
[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51152726
(5-bromo-3-pyridinyl)-(4-cyclopentylpiperazin-1-yl)methanone
CID 60735608

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone (CID 113344085) is (5-bromo-3-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone is CC1(O)CCCN(C(=O)c2cncc(Br)c2)C1.
What is the InChIKey of (5-bromo-3-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is FXZWXFUCZJPYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-12(17)3-2-4-15(8-12)11(16)9-5-10(13)7-14-6-9/h5-7,17H,2-4,8H2,1H3.
What are the key properties of (5-bromo-3-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
(5-bromo-3-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 299.17 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 113344085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).