5-[3-(2-bromophenyl)piperidin-4-yl]-2-methylpyridine

C17H19BrN2 — CID 104824052

IUPAC5-[3-(2-bromophenyl)piperidin-4-yl]-2-methylpyridine
SMILESCc1ccc(C2CCNCC2c2ccccc2Br)cn1
InChIInChI=1S/C17H19BrN2/c1-12-6-7-13(10-20-12)14-8-9-19-11-16(14)15-4-2-3-5-17(15)18/h2-7,10,14,16,19H,8-9,11H2,1H3
InChIKeyHFKHTUCKAFKVLL-UHFFFAOYSA-N
MW331.26 g/mol
LogP4.01
Rot. Bonds2

About 5-[3-(2-bromophenyl)piperidin-4-yl]-2-methylpyridine

5-[3-(2-bromophenyl)piperidin-4-yl]-2-methylpyridine (PubChem CID 104824052) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 5-[3-(2-bromophenyl)piperidin-4-yl]-2-methylpyridine.

Molecular Properties

Compound Name5-[3-(2-bromophenyl)piperidin-4-yl]-2-methylpyridine
PubChem CID104824052
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC Name5-[3-(2-bromophenyl)piperidin-4-yl]-2-methylpyridine
SMILESCc1ccc(C2CCNCC2c2ccccc2Br)cn1
InChIInChI=1S/C17H19BrN2/c1-12-6-7-13(10-20-12)14-8-9-19-11-16(14)15-4-2-3-5-17(15)18/h2-7,10,14,16,19H,8-9,11H2,1H3
InChIKeyHFKHTUCKAFKVLL-UHFFFAOYSA-N
XLogP4.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-bromophenyl)piperidin-4-yl]-2-methylpyridine?
The IUPAC name of 5-[3-(2-bromophenyl)piperidin-4-yl]-2-methylpyridine (CID 104824052) is 5-[3-(2-bromophenyl)piperidin-4-yl]-2-methylpyridine.
What is the SMILES notation for 5-[3-(2-bromophenyl)piperidin-4-yl]-2-methylpyridine?
The canonical SMILES for 5-[3-(2-bromophenyl)piperidin-4-yl]-2-methylpyridine is Cc1ccc(C2CCNCC2c2ccccc2Br)cn1.
What is the InChIKey of 5-[3-(2-bromophenyl)piperidin-4-yl]-2-methylpyridine?
The InChIKey is HFKHTUCKAFKVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c1-12-6-7-13(10-20-12)14-8-9-19-11-16(14)15-4-2-3-5-17(15)18/h2-7,10,14,16,19H,8-9,11H2,1H3.
What are the key properties of 5-[3-(2-bromophenyl)piperidin-4-yl]-2-methylpyridine?
5-[3-(2-bromophenyl)piperidin-4-yl]-2-methylpyridine has a molecular weight of 331.26 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-bromophenyl)piperidin-4-yl]-2-methylpyridine is sourced from PubChem (CID 104824052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).