4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylpyridine

C13H19FN2 — CID 146286145

IUPAC4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylpyridine
SMILESCc1cc(CC2(F)CCNCC2)cc(C)n1
InChIInChI=1S/C13H19FN2/c1-10-7-12(8-11(2)16-10)9-13(14)3-5-15-6-4-13/h7-8,15H,3-6,9H2,1-2H3
InChIKeyCCXPRGPCSUHVTL-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.33
Rot. Bonds2

About 4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylpyridine

4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylpyridine (PubChem CID 146286145) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylpyridine.

Molecular Properties

Compound Name4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylpyridine
PubChem CID146286145
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylpyridine
SMILESCc1cc(CC2(F)CCNCC2)cc(C)n1
InChIInChI=1S/C13H19FN2/c1-10-7-12(8-11(2)16-10)9-13(14)3-5-15-6-4-13/h7-8,15H,3-6,9H2,1-2H3
InChIKeyCCXPRGPCSUHVTL-UHFFFAOYSA-N
XLogP2.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylpyridine?
The IUPAC name of 4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylpyridine (CID 146286145) is 4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylpyridine.
What is the SMILES notation for 4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylpyridine?
The canonical SMILES for 4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylpyridine is Cc1cc(CC2(F)CCNCC2)cc(C)n1.
What is the InChIKey of 4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylpyridine?
The InChIKey is CCXPRGPCSUHVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-10-7-12(8-11(2)16-10)9-13(14)3-5-15-6-4-13/h7-8,15H,3-6,9H2,1-2H3.
What are the key properties of 4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylpyridine?
4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylpyridine has a molecular weight of 222.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylpyridine is sourced from PubChem (CID 146286145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).