5-(bromomethyl)-2-(2,3-dimethylpiperidin-1-yl)-3-methylpyridine

C14H21BrN2 — CID 107082704

IUPAC5-(bromomethyl)-2-(2,3-dimethylpiperidin-1-yl)-3-methylpyridine
SMILESCc1cc(CBr)cnc1N1CCCC(C)C1C
InChIInChI=1S/C14H21BrN2/c1-10-5-4-6-17(12(10)3)14-11(2)7-13(8-15)9-16-14/h7,9-10,12H,4-6,8H2,1-3H3
InChIKeyGJCXVYBYEMAHDH-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.91
Rot. Bonds2

About 5-(bromomethyl)-2-(2,3-dimethylpiperidin-1-yl)-3-methylpyridine

5-(bromomethyl)-2-(2,3-dimethylpiperidin-1-yl)-3-methylpyridine (PubChem CID 107082704) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(2,3-dimethylpiperidin-1-yl)-3-methylpyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(2,3-dimethylpiperidin-1-yl)-3-methylpyridine
PubChem CID107082704
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name5-(bromomethyl)-2-(2,3-dimethylpiperidin-1-yl)-3-methylpyridine
SMILESCc1cc(CBr)cnc1N1CCCC(C)C1C
InChIInChI=1S/C14H21BrN2/c1-10-5-4-6-17(12(10)3)14-11(2)7-13(8-15)9-16-14/h7,9-10,12H,4-6,8H2,1-3H3
InChIKeyGJCXVYBYEMAHDH-UHFFFAOYSA-N
XLogP3.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(bromomethyl)-2-(2,3-dimethylpiperidin-1-yl)-3-methylpyridine 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

5-(bromomethyl)-3-methyl-2-(2-methylpiperidin-1-yl)pyridine
CID 107078920
6-(2,3-dimethylpiperidin-1-yl)-5-methylpyridine-3-carboxylic acid
CID 80631782
5-(bromomethyl)-2-(2,4-dimethylpyrrolidin-1-yl)-3-methylpyridine
CID 107085319
5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine
CID 107080841
4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-3-methylthiomorpholine
CID 107083852
5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine
CID 107080495
3-[5-(bromomethyl)-3-methyl-2-pyridinyl]-3-azabicyclo[3.3.1]nonane
CID 114196631
2-methyl-N-[[5-methyl-6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 80629769
[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methanamine
CID 80636209
1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 107083279
1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4,4-dimethylazepane
CID 107084111
(4aR,8aR)-1-[5-(chloromethyl)-3-methyl-2-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727193

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(2,3-dimethylpiperidin-1-yl)-3-methylpyridine?
The IUPAC name of 5-(bromomethyl)-2-(2,3-dimethylpiperidin-1-yl)-3-methylpyridine (CID 107082704) is 5-(bromomethyl)-2-(2,3-dimethylpiperidin-1-yl)-3-methylpyridine.
What is the SMILES notation for 5-(bromomethyl)-2-(2,3-dimethylpiperidin-1-yl)-3-methylpyridine?
The canonical SMILES for 5-(bromomethyl)-2-(2,3-dimethylpiperidin-1-yl)-3-methylpyridine is Cc1cc(CBr)cnc1N1CCCC(C)C1C.
What is the InChIKey of 5-(bromomethyl)-2-(2,3-dimethylpiperidin-1-yl)-3-methylpyridine?
The InChIKey is GJCXVYBYEMAHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-10-5-4-6-17(12(10)3)14-11(2)7-13(8-15)9-16-14/h7,9-10,12H,4-6,8H2,1-3H3.
What are the key properties of 5-(bromomethyl)-2-(2,3-dimethylpiperidin-1-yl)-3-methylpyridine?
5-(bromomethyl)-2-(2,3-dimethylpiperidin-1-yl)-3-methylpyridine has a molecular weight of 297.24 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(2,3-dimethylpiperidin-1-yl)-3-methylpyridine is sourced from PubChem (CID 107082704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).