5-bromo-2-(chloromethyl)-3-methyl-4-piperidin-1-ylpyridine

C12H16BrClN2 — CID 19791147

IUPAC5-bromo-2-(chloromethyl)-3-methyl-4-piperidin-1-ylpyridine
SMILESCc1c(CCl)ncc(Br)c1N1CCCCC1
InChIInChI=1S/C12H16BrClN2/c1-9-11(7-14)15-8-10(13)12(9)16-5-3-2-4-6-16/h8H,2-7H2,1H3
InChIKeyRLDVBNZVKNVYBQ-UHFFFAOYSA-N
MW303.63 g/mol
LogP3.88
Rot. Bonds2

About 5-bromo-2-(chloromethyl)-3-methyl-4-piperidin-1-ylpyridine

5-bromo-2-(chloromethyl)-3-methyl-4-piperidin-1-ylpyridine (PubChem CID 19791147) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 5-bromo-2-(chloromethyl)-3-methyl-4-piperidin-1-ylpyridine.

Molecular Properties

Compound Name5-bromo-2-(chloromethyl)-3-methyl-4-piperidin-1-ylpyridine
PubChem CID19791147
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name5-bromo-2-(chloromethyl)-3-methyl-4-piperidin-1-ylpyridine
SMILESCc1c(CCl)ncc(Br)c1N1CCCCC1
InChIInChI=1S/C12H16BrClN2/c1-9-11(7-14)15-8-10(13)12(9)16-5-3-2-4-6-16/h8H,2-7H2,1H3
InChIKeyRLDVBNZVKNVYBQ-UHFFFAOYSA-N
XLogP3.88
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(chloromethyl)-3-methyl-4-piperidin-1-ylpyridine?
The IUPAC name of 5-bromo-2-(chloromethyl)-3-methyl-4-piperidin-1-ylpyridine (CID 19791147) is 5-bromo-2-(chloromethyl)-3-methyl-4-piperidin-1-ylpyridine.
What is the SMILES notation for 5-bromo-2-(chloromethyl)-3-methyl-4-piperidin-1-ylpyridine?
The canonical SMILES for 5-bromo-2-(chloromethyl)-3-methyl-4-piperidin-1-ylpyridine is Cc1c(CCl)ncc(Br)c1N1CCCCC1.
What is the InChIKey of 5-bromo-2-(chloromethyl)-3-methyl-4-piperidin-1-ylpyridine?
The InChIKey is RLDVBNZVKNVYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c1-9-11(7-14)15-8-10(13)12(9)16-5-3-2-4-6-16/h8H,2-7H2,1H3.
What are the key properties of 5-bromo-2-(chloromethyl)-3-methyl-4-piperidin-1-ylpyridine?
5-bromo-2-(chloromethyl)-3-methyl-4-piperidin-1-ylpyridine has a molecular weight of 303.63 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(chloromethyl)-3-methyl-4-piperidin-1-ylpyridine is sourced from PubChem (CID 19791147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).