5-[(2S)-4,4-difluoropiperidin-2-yl]-2-methylpyridine

C11H14F2N2 — CID 167033139

IUPAC5-[(2S)-4,4-difluoropiperidin-2-yl]-2-methylpyridine
SMILESCc1ccc([C@@H]2CC(F)(F)CCN2)cn1
InChIInChI=1S/C11H14F2N2/c1-8-2-3-9(7-15-8)10-6-11(12,13)4-5-14-10/h2-3,7,10,14H,4-6H2,1H3/t10-/m0/s1
InChIKeyCHWBIKGFEMYSDQ-JTQLQIEISA-N
MW212.24 g/mol
LogP2.45
Rot. Bonds1

About 5-[(2S)-4,4-difluoropiperidin-2-yl]-2-methylpyridine

5-[(2S)-4,4-difluoropiperidin-2-yl]-2-methylpyridine (PubChem CID 167033139) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 5-[(2S)-4,4-difluoropiperidin-2-yl]-2-methylpyridine.

Molecular Properties

Compound Name5-[(2S)-4,4-difluoropiperidin-2-yl]-2-methylpyridine
PubChem CID167033139
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name5-[(2S)-4,4-difluoropiperidin-2-yl]-2-methylpyridine
SMILESCc1ccc([C@@H]2CC(F)(F)CCN2)cn1
InChIInChI=1S/C11H14F2N2/c1-8-2-3-9(7-15-8)10-6-11(12,13)4-5-14-10/h2-3,7,10,14H,4-6H2,1H3/t10-/m0/s1
InChIKeyCHWBIKGFEMYSDQ-JTQLQIEISA-N
XLogP2.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-4,4-difluoropiperidin-2-yl]-2-methylpyridine?
The IUPAC name of 5-[(2S)-4,4-difluoropiperidin-2-yl]-2-methylpyridine (CID 167033139) is 5-[(2S)-4,4-difluoropiperidin-2-yl]-2-methylpyridine.
What is the SMILES notation for 5-[(2S)-4,4-difluoropiperidin-2-yl]-2-methylpyridine?
The canonical SMILES for 5-[(2S)-4,4-difluoropiperidin-2-yl]-2-methylpyridine is Cc1ccc([C@@H]2CC(F)(F)CCN2)cn1.
What is the InChIKey of 5-[(2S)-4,4-difluoropiperidin-2-yl]-2-methylpyridine?
The InChIKey is CHWBIKGFEMYSDQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14F2N2/c1-8-2-3-9(7-15-8)10-6-11(12,13)4-5-14-10/h2-3,7,10,14H,4-6H2,1H3/t10-/m0/s1.
What are the key properties of 5-[(2S)-4,4-difluoropiperidin-2-yl]-2-methylpyridine?
5-[(2S)-4,4-difluoropiperidin-2-yl]-2-methylpyridine has a molecular weight of 212.24 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-4,4-difluoropiperidin-2-yl]-2-methylpyridine is sourced from PubChem (CID 167033139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).