3-fluoro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine

C13H20FN3 — CID 55111712

IUPAC3-fluoro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
SMILESCC(CNc1ncccc1F)N1CCCCC1
InChIInChI=1S/C13H20FN3/c1-11(17-8-3-2-4-9-17)10-16-13-12(14)6-5-7-15-13/h5-7,11H,2-4,8-10H2,1H3,(H,15,16)
InChIKeyYTBRULGADDMYLA-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.51
Rot. Bonds4

About 3-fluoro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine

3-fluoro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine (PubChem CID 55111712) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-fluoro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
PubChem CID55111712
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name3-fluoro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
SMILESCC(CNc1ncccc1F)N1CCCCC1
InChIInChI=1S/C13H20FN3/c1-11(17-8-3-2-4-9-17)10-16-13-12(14)6-5-7-15-13/h5-7,11H,2-4,8-10H2,1H3,(H,15,16)
InChIKeyYTBRULGADDMYLA-UHFFFAOYSA-N
XLogP2.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine?
The IUPAC name of 3-fluoro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine (CID 55111712) is 3-fluoro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine is CC(CNc1ncccc1F)N1CCCCC1.
What is the InChIKey of 3-fluoro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine?
The InChIKey is YTBRULGADDMYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-11(17-8-3-2-4-9-17)10-16-13-12(14)6-5-7-15-13/h5-7,11H,2-4,8-10H2,1H3,(H,15,16).
What are the key properties of 3-fluoro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine?
3-fluoro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine has a molecular weight of 237.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine is sourced from PubChem (CID 55111712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).