2-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethanamine

C12H17F2N3 — CID 112676170

IUPAC2-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethanamine
SMILESNCCC1CCN(c2ncc(F)cc2F)CC1
InChIInChI=1S/C12H17F2N3/c13-10-7-11(14)12(16-8-10)17-5-2-9(1-4-15)3-6-17/h7-9H,1-6,15H2
InChIKeyUAQGFRIZOGVWCV-UHFFFAOYSA-N
MW241.28 g/mol
LogP1.92
Rot. Bonds3

About 2-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethanamine

2-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethanamine (PubChem CID 112676170) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethanamine
PubChem CID112676170
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC Name2-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethanamine
SMILESNCCC1CCN(c2ncc(F)cc2F)CC1
InChIInChI=1S/C12H17F2N3/c13-10-7-11(14)12(16-8-10)17-5-2-9(1-4-15)3-6-17/h7-9H,1-6,15H2
InChIKeyUAQGFRIZOGVWCV-UHFFFAOYSA-N
XLogP1.92
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethanamine (CID 112676170) is 2-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethanamine is NCCC1CCN(c2ncc(F)cc2F)CC1.
What is the InChIKey of 2-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethanamine?
The InChIKey is UAQGFRIZOGVWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c13-10-7-11(14)12(16-8-10)17-5-2-9(1-4-15)3-6-17/h7-9H,1-6,15H2.
What are the key properties of 2-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethanamine?
2-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethanamine has a molecular weight of 241.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 112676170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).