3,5-difluoro-6-(4-propylpiperidin-1-yl)pyridin-2-amine

C13H19F2N3 — CID 114074421

IUPAC3,5-difluoro-6-(4-propylpiperidin-1-yl)pyridin-2-amine
SMILESCCCC1CCN(c2nc(N)c(F)cc2F)CC1
InChIInChI=1S/C13H19F2N3/c1-2-3-9-4-6-18(7-5-9)13-11(15)8-10(14)12(16)17-13/h8-9H,2-7H2,1H3,(H2,16,17)
InChIKeyCYBOYSMYPQHAMH-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.96
Rot. Bonds3

About 3,5-difluoro-6-(4-propylpiperidin-1-yl)pyridin-2-amine

3,5-difluoro-6-(4-propylpiperidin-1-yl)pyridin-2-amine (PubChem CID 114074421) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is 3,5-difluoro-6-(4-propylpiperidin-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-6-(4-propylpiperidin-1-yl)pyridin-2-amine
PubChem CID114074421
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name3,5-difluoro-6-(4-propylpiperidin-1-yl)pyridin-2-amine
SMILESCCCC1CCN(c2nc(N)c(F)cc2F)CC1
InChIInChI=1S/C13H19F2N3/c1-2-3-9-4-6-18(7-5-9)13-11(15)8-10(14)12(16)17-13/h8-9H,2-7H2,1H3,(H2,16,17)
InChIKeyCYBOYSMYPQHAMH-UHFFFAOYSA-N
XLogP2.96
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-6-(4-propylpiperidin-1-yl)pyridin-2-amine?
The IUPAC name of 3,5-difluoro-6-(4-propylpiperidin-1-yl)pyridin-2-amine (CID 114074421) is 3,5-difluoro-6-(4-propylpiperidin-1-yl)pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-6-(4-propylpiperidin-1-yl)pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-6-(4-propylpiperidin-1-yl)pyridin-2-amine is CCCC1CCN(c2nc(N)c(F)cc2F)CC1.
What is the InChIKey of 3,5-difluoro-6-(4-propylpiperidin-1-yl)pyridin-2-amine?
The InChIKey is CYBOYSMYPQHAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c1-2-3-9-4-6-18(7-5-9)13-11(15)8-10(14)12(16)17-13/h8-9H,2-7H2,1H3,(H2,16,17).
What are the key properties of 3,5-difluoro-6-(4-propylpiperidin-1-yl)pyridin-2-amine?
3,5-difluoro-6-(4-propylpiperidin-1-yl)pyridin-2-amine has a molecular weight of 255.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-6-(4-propylpiperidin-1-yl)pyridin-2-amine is sourced from PubChem (CID 114074421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).