5-(bromomethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine

C13H19BrN2O — CID 107085467

IUPAC5-(bromomethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine
SMILESCOC1CN(c2ccc(CBr)cn2)CCC1C
InChIInChI=1S/C13H19BrN2O/c1-10-5-6-16(9-12(10)17-2)13-4-3-11(7-14)8-15-13/h3-4,8,10,12H,5-7,9H2,1-2H3
InChIKeyGZRUQSMHYJGRBJ-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.84
Rot. Bonds3

About 5-(bromomethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine

5-(bromomethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine (PubChem CID 107085467) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine
PubChem CID107085467
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name5-(bromomethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine
SMILESCOC1CN(c2ccc(CBr)cn2)CCC1C
InChIInChI=1S/C13H19BrN2O/c1-10-5-6-16(9-12(10)17-2)13-4-3-11(7-14)8-15-13/h3-4,8,10,12H,5-7,9H2,1-2H3
InChIKeyGZRUQSMHYJGRBJ-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
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

5-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine
CID 102965835
2-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 102968762
1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 102961289
1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 102958961
5-(bromomethyl)-2-(3-methylsulfanylpyrrolidin-1-yl)pyridine
CID 130757514
6-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 102958446
4-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine
CID 102965947
1-[4-(bromomethyl)-2-nitrophenyl]-3-methoxy-4-methylpiperidine
CID 107085461
5-(bromomethyl)-2-(3,4-dimethylpiperidin-1-yl)pyrimidine
CID 107085225
N-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 102967645
[1-(5-bromo-2-pyridinyl)-4-methylpiperidin-3-yl]methanamine
CID 114961588
1-[2-(bromomethyl)-6-chlorophenyl]-3-methoxy-4-methylpiperidine
CID 114067915

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine?
The IUPAC name of 5-(bromomethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine (CID 107085467) is 5-(bromomethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine.
What is the SMILES notation for 5-(bromomethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine?
The canonical SMILES for 5-(bromomethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine is COC1CN(c2ccc(CBr)cn2)CCC1C.
What is the InChIKey of 5-(bromomethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine?
The InChIKey is GZRUQSMHYJGRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10-5-6-16(9-12(10)17-2)13-4-3-11(7-14)8-15-13/h3-4,8,10,12H,5-7,9H2,1-2H3.
What are the key properties of 5-(bromomethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine?
5-(bromomethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine has a molecular weight of 299.21 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine is sourced from PubChem (CID 107085467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).