5-bromo-2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine

C14H17BrN4 — CID 124741901

IUPAC5-bromo-2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine
SMILESC[C@@H]1CCN(c2ccc(Br)cn2)C[C@H]1n1ccnc1
InChIInChI=1S/C14H17BrN4/c1-11-4-6-18(14-3-2-12(15)8-17-14)9-13(11)19-7-5-16-10-19/h2-3,5,7-8,10-11,13H,4,6,9H2,1H3/t11-,13-/m1/s1
InChIKeyWYUMVKJIQZVVND-DGCLKSJQSA-N
MW321.22 g/mol
LogP3.13
Rot. Bonds2

About 5-bromo-2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine

5-bromo-2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine (PubChem CID 124741901) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-bromo-2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine
PubChem CID124741901
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name5-bromo-2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine
SMILESC[C@@H]1CCN(c2ccc(Br)cn2)C[C@H]1n1ccnc1
InChIInChI=1S/C14H17BrN4/c1-11-4-6-18(14-3-2-12(15)8-17-14)9-13(11)19-7-5-16-10-19/h2-3,5,7-8,10-11,13H,4,6,9H2,1H3/t11-,13-/m1/s1
InChIKeyWYUMVKJIQZVVND-DGCLKSJQSA-N
XLogP3.13
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine?
The IUPAC name of 5-bromo-2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine (CID 124741901) is 5-bromo-2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine.
What is the SMILES notation for 5-bromo-2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine?
The canonical SMILES for 5-bromo-2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine is C[C@@H]1CCN(c2ccc(Br)cn2)C[C@H]1n1ccnc1.
What is the InChIKey of 5-bromo-2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine?
The InChIKey is WYUMVKJIQZVVND-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-11-4-6-18(14-3-2-12(15)8-17-14)9-13(11)19-7-5-16-10-19/h2-3,5,7-8,10-11,13H,4,6,9H2,1H3/t11-,13-/m1/s1.
What are the key properties of 5-bromo-2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine?
5-bromo-2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine has a molecular weight of 321.22 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine is sourced from PubChem (CID 124741901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).