5-(bromomethyl)-3-methyl-2-(2-methylpiperidin-1-yl)pyridine

C13H19BrN2 — CID 107078920

IUPAC5-(bromomethyl)-3-methyl-2-(2-methylpiperidin-1-yl)pyridine
SMILESCc1cc(CBr)cnc1N1CCCCC1C
InChIInChI=1S/C13H19BrN2/c1-10-7-12(8-14)9-15-13(10)16-6-4-3-5-11(16)2/h7,9,11H,3-6,8H2,1-2H3
InChIKeyKJBHGEQLMSNREK-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.66
Rot. Bonds2

About 5-(bromomethyl)-3-methyl-2-(2-methylpiperidin-1-yl)pyridine

5-(bromomethyl)-3-methyl-2-(2-methylpiperidin-1-yl)pyridine (PubChem CID 107078920) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 5-(bromomethyl)-3-methyl-2-(2-methylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-3-methyl-2-(2-methylpiperidin-1-yl)pyridine
PubChem CID107078920
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name5-(bromomethyl)-3-methyl-2-(2-methylpiperidin-1-yl)pyridine
SMILESCc1cc(CBr)cnc1N1CCCCC1C
InChIInChI=1S/C13H19BrN2/c1-10-7-12(8-14)9-15-13(10)16-6-4-3-5-11(16)2/h7,9,11H,3-6,8H2,1-2H3
InChIKeyKJBHGEQLMSNREK-UHFFFAOYSA-N
XLogP3.66
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-2-(2,3-dimethylpiperidin-1-yl)-3-methylpyridine
CID 107082704
2-methyl-N-[[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 80629274
4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-3-methylthiomorpholine
CID 107083852
2-methyl-N-[[5-methyl-6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 80629769
5-(bromomethyl)-2-(2,4-dimethylpyrrolidin-1-yl)-3-methylpyridine
CID 107085319
5-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyridin-3-amine
CID 94452919
5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine
CID 107080841
(4aR,8aR)-1-[5-(chloromethyl)-3-methyl-2-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727193
[5-methyl-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanol
CID 80628200
5-bromo-2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyridine
CID 80676805
3-[5-(bromomethyl)-3-methyl-2-pyridinyl]-3-azabicyclo[3.3.1]nonane
CID 114196631
5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine
CID 107080495

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-methyl-2-(2-methylpiperidin-1-yl)pyridine?
The IUPAC name of 5-(bromomethyl)-3-methyl-2-(2-methylpiperidin-1-yl)pyridine (CID 107078920) is 5-(bromomethyl)-3-methyl-2-(2-methylpiperidin-1-yl)pyridine.
What is the SMILES notation for 5-(bromomethyl)-3-methyl-2-(2-methylpiperidin-1-yl)pyridine?
The canonical SMILES for 5-(bromomethyl)-3-methyl-2-(2-methylpiperidin-1-yl)pyridine is Cc1cc(CBr)cnc1N1CCCCC1C.
What is the InChIKey of 5-(bromomethyl)-3-methyl-2-(2-methylpiperidin-1-yl)pyridine?
The InChIKey is KJBHGEQLMSNREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10-7-12(8-14)9-15-13(10)16-6-4-3-5-11(16)2/h7,9,11H,3-6,8H2,1-2H3.
What are the key properties of 5-(bromomethyl)-3-methyl-2-(2-methylpiperidin-1-yl)pyridine?
5-(bromomethyl)-3-methyl-2-(2-methylpiperidin-1-yl)pyridine has a molecular weight of 283.21 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-methyl-2-(2-methylpiperidin-1-yl)pyridine is sourced from PubChem (CID 107078920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).