1-[2,2-difluoro-2-(3-fluoro-5-methyl-2-pyridinyl)ethyl]piperidin-4-amine

C13H18F3N3 — CID 129013213

IUPAC1-[2,2-difluoro-2-(3-fluoro-5-methyl-2-pyridinyl)ethyl]piperidin-4-amine
SMILESCc1cnc(C(F)(F)CN2CCC(N)CC2)c(F)c1
InChIInChI=1S/C13H18F3N3/c1-9-6-11(14)12(18-7-9)13(15,16)8-19-4-2-10(17)3-5-19/h6-7,10H,2-5,8,17H2,1H3
InChIKeyJEUGPEGORRRRKO-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.04
Rot. Bonds3

About 1-[2,2-difluoro-2-(3-fluoro-5-methyl-2-pyridinyl)ethyl]piperidin-4-amine

1-[2,2-difluoro-2-(3-fluoro-5-methyl-2-pyridinyl)ethyl]piperidin-4-amine (PubChem CID 129013213) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-[2,2-difluoro-2-(3-fluoro-5-methyl-2-pyridinyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2,2-difluoro-2-(3-fluoro-5-methyl-2-pyridinyl)ethyl]piperidin-4-amine
PubChem CID129013213
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name1-[2,2-difluoro-2-(3-fluoro-5-methyl-2-pyridinyl)ethyl]piperidin-4-amine
SMILESCc1cnc(C(F)(F)CN2CCC(N)CC2)c(F)c1
InChIInChI=1S/C13H18F3N3/c1-9-6-11(14)12(18-7-9)13(15,16)8-19-4-2-10(17)3-5-19/h6-7,10H,2-5,8,17H2,1H3
InChIKeyJEUGPEGORRRRKO-UHFFFAOYSA-N
XLogP2.04
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.04
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-(3-fluoro-5-methyl-2-pyridinyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[2,2-difluoro-2-(3-fluoro-5-methyl-2-pyridinyl)ethyl]piperidin-4-amine (CID 129013213) is 1-[2,2-difluoro-2-(3-fluoro-5-methyl-2-pyridinyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2,2-difluoro-2-(3-fluoro-5-methyl-2-pyridinyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2,2-difluoro-2-(3-fluoro-5-methyl-2-pyridinyl)ethyl]piperidin-4-amine is Cc1cnc(C(F)(F)CN2CCC(N)CC2)c(F)c1.
What is the InChIKey of 1-[2,2-difluoro-2-(3-fluoro-5-methyl-2-pyridinyl)ethyl]piperidin-4-amine?
The InChIKey is JEUGPEGORRRRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-9-6-11(14)12(18-7-9)13(15,16)8-19-4-2-10(17)3-5-19/h6-7,10H,2-5,8,17H2,1H3.
What are the key properties of 1-[2,2-difluoro-2-(3-fluoro-5-methyl-2-pyridinyl)ethyl]piperidin-4-amine?
1-[2,2-difluoro-2-(3-fluoro-5-methyl-2-pyridinyl)ethyl]piperidin-4-amine has a molecular weight of 273.30 g/mol, XLogP of 2.04, 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-(3-fluoro-5-methyl-2-pyridinyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 129013213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).