3-bromo-2-(4,4-dimethylpiperidin-1-yl)pyridine

C12H17BrN2 — CID 55209852

IUPAC3-bromo-2-(4,4-dimethylpiperidin-1-yl)pyridine
SMILESCC1(C)CCN(c2ncccc2Br)CC1
InChIInChI=1S/C12H17BrN2/c1-12(2)5-8-15(9-6-12)11-10(13)4-3-7-14-11/h3-4,7H,5-6,8-9H2,1-2H3
InChIKeyYBFFWONWLUAXFC-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.47
Rot. Bonds1

About 3-bromo-2-(4,4-dimethylpiperidin-1-yl)pyridine

3-bromo-2-(4,4-dimethylpiperidin-1-yl)pyridine (PubChem CID 55209852) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 3-bromo-2-(4,4-dimethylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3-bromo-2-(4,4-dimethylpiperidin-1-yl)pyridine
PubChem CID55209852
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name3-bromo-2-(4,4-dimethylpiperidin-1-yl)pyridine
SMILESCC1(C)CCN(c2ncccc2Br)CC1
InChIInChI=1S/C12H17BrN2/c1-12(2)5-8-15(9-6-12)11-10(13)4-3-7-14-11/h3-4,7H,5-6,8-9H2,1-2H3
InChIKeyYBFFWONWLUAXFC-UHFFFAOYSA-N
XLogP3.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4,4-dimethylpiperidin-1-yl)pyridine?
The IUPAC name of 3-bromo-2-(4,4-dimethylpiperidin-1-yl)pyridine (CID 55209852) is 3-bromo-2-(4,4-dimethylpiperidin-1-yl)pyridine.
What is the SMILES notation for 3-bromo-2-(4,4-dimethylpiperidin-1-yl)pyridine?
The canonical SMILES for 3-bromo-2-(4,4-dimethylpiperidin-1-yl)pyridine is CC1(C)CCN(c2ncccc2Br)CC1.
What is the InChIKey of 3-bromo-2-(4,4-dimethylpiperidin-1-yl)pyridine?
The InChIKey is YBFFWONWLUAXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-12(2)5-8-15(9-6-12)11-10(13)4-3-7-14-11/h3-4,7H,5-6,8-9H2,1-2H3.
What are the key properties of 3-bromo-2-(4,4-dimethylpiperidin-1-yl)pyridine?
3-bromo-2-(4,4-dimethylpiperidin-1-yl)pyridine has a molecular weight of 269.19 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(4,4-dimethylpiperidin-1-yl)pyridine is sourced from PubChem (CID 55209852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).