2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-6-methoxypyridine

C13H19BrN2O — CID 114682535

IUPAC2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-6-methoxypyridine
SMILESCOc1cccc(CN2CCC(Br)C(C)C2)n1
InChIInChI=1S/C13H19BrN2O/c1-10-8-16(7-6-12(10)14)9-11-4-3-5-13(15-11)17-2/h3-5,10,12H,6-9H2,1-2H3
InChIKeyVCNFQUOTHPGLIN-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.70
Rot. Bonds3

About 2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-6-methoxypyridine

2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-6-methoxypyridine (PubChem CID 114682535) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-6-methoxypyridine.

Molecular Properties

Compound Name2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-6-methoxypyridine
PubChem CID114682535
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-6-methoxypyridine
SMILESCOc1cccc(CN2CCC(Br)C(C)C2)n1
InChIInChI=1S/C13H19BrN2O/c1-10-8-16(7-6-12(10)14)9-11-4-3-5-13(15-11)17-2/h3-5,10,12H,6-9H2,1-2H3
InChIKeyVCNFQUOTHPGLIN-UHFFFAOYSA-N
XLogP2.70
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-6-methoxypyridine 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

1-[(6-methoxy-2-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103897931
(3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975727
2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine
CID 63984943
1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
CID 63992335
2-methoxy-6-(piperidin-1-ylmethyl)pyridine
CID 70652671
1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine
CID 172891684
[6-[(3,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 106907162
N'-hydroxy-4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboximidamide
CID 79680423
ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 63984544
3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79736901
4-bromo-3-methyl-1-[(3-methylphenyl)methyl]piperidine
CID 114682467
2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-1,3-benzothiazole
CID 114682379

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-6-methoxypyridine?
The IUPAC name of 2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-6-methoxypyridine (CID 114682535) is 2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-6-methoxypyridine.
What is the SMILES notation for 2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-6-methoxypyridine?
The canonical SMILES for 2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-6-methoxypyridine is COc1cccc(CN2CCC(Br)C(C)C2)n1.
What is the InChIKey of 2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-6-methoxypyridine?
The InChIKey is VCNFQUOTHPGLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10-8-16(7-6-12(10)14)9-11-4-3-5-13(15-11)17-2/h3-5,10,12H,6-9H2,1-2H3.
What are the key properties of 2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-6-methoxypyridine?
2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-6-methoxypyridine has a molecular weight of 299.21 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-6-methoxypyridine is sourced from PubChem (CID 114682535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).