1-[2,2-difluoro-2-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-amine

C12H16F3N3 — CID 118938563

IUPAC1-[2,2-difluoro-2-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-amine
SMILESNC1CCN(CC(F)(F)c2ccc(F)cn2)CC1
InChIInChI=1S/C12H16F3N3/c13-9-1-2-11(17-7-9)12(14,15)8-18-5-3-10(16)4-6-18/h1-2,7,10H,3-6,8,16H2
InChIKeyXHQSYOCFTGZXLT-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.74
Rot. Bonds3

About 1-[2,2-difluoro-2-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-amine

1-[2,2-difluoro-2-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-amine (PubChem CID 118938563) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-[2,2-difluoro-2-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2,2-difluoro-2-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-amine
PubChem CID118938563
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name1-[2,2-difluoro-2-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-amine
SMILESNC1CCN(CC(F)(F)c2ccc(F)cn2)CC1
InChIInChI=1S/C12H16F3N3/c13-9-1-2-11(17-7-9)12(14,15)8-18-5-3-10(16)4-6-18/h1-2,7,10H,3-6,8,16H2
InChIKeyXHQSYOCFTGZXLT-UHFFFAOYSA-N
XLogP1.74
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoro-2-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[2,2-difluoro-2-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-amine (CID 118938563) is 1-[2,2-difluoro-2-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2,2-difluoro-2-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2,2-difluoro-2-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-amine is NC1CCN(CC(F)(F)c2ccc(F)cn2)CC1.
What is the InChIKey of 1-[2,2-difluoro-2-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-amine?
The InChIKey is XHQSYOCFTGZXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c13-9-1-2-11(17-7-9)12(14,15)8-18-5-3-10(16)4-6-18/h1-2,7,10H,3-6,8,16H2.
What are the key properties of 1-[2,2-difluoro-2-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-amine?
1-[2,2-difluoro-2-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-amine has a molecular weight of 259.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoro-2-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 118938563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).