5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine

C13H18F2N2 — CID 121261462

IUPAC5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine
SMILESCC(C)c1ccc(N2CCC(F)(F)CC2)cn1
InChIInChI=1S/C13H18F2N2/c1-10(2)12-4-3-11(9-16-12)17-7-5-13(14,15)6-8-17/h3-4,9-10H,5-8H2,1-2H3
InChIKeyWEIYZPFYKARVKI-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.44
Rot. Bonds2

About 5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine

5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine (PubChem CID 121261462) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine.

Molecular Properties

Compound Name5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine
PubChem CID121261462
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine
SMILESCC(C)c1ccc(N2CCC(F)(F)CC2)cn1
InChIInChI=1S/C13H18F2N2/c1-10(2)12-4-3-11(9-16-12)17-7-5-13(14,15)6-8-17/h3-4,9-10H,5-8H2,1-2H3
InChIKeyWEIYZPFYKARVKI-UHFFFAOYSA-N
XLogP3.44
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine?
The IUPAC name of 5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine (CID 121261462) is 5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine.
What is the SMILES notation for 5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine?
The canonical SMILES for 5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine is CC(C)c1ccc(N2CCC(F)(F)CC2)cn1.
What is the InChIKey of 5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine?
The InChIKey is WEIYZPFYKARVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-10(2)12-4-3-11(9-16-12)17-7-5-13(14,15)6-8-17/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine?
5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine has a molecular weight of 240.30 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine is sourced from PubChem (CID 121261462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).