1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-3-amine

C13H20FN3 — CID 112585618

IUPAC1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-3-amine
SMILESCCC(c1ccc(F)cn1)N1CCCC(N)C1
InChIInChI=1S/C13H20FN3/c1-2-13(12-6-5-10(14)8-16-12)17-7-3-4-11(15)9-17/h5-6,8,11,13H,2-4,7,9,15H2,1H3
InChIKeyJBRZIZZYILLEDA-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.09
Rot. Bonds3

About 1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-3-amine

1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-3-amine (PubChem CID 112585618) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-3-amine
PubChem CID112585618
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-3-amine
SMILESCCC(c1ccc(F)cn1)N1CCCC(N)C1
InChIInChI=1S/C13H20FN3/c1-2-13(12-6-5-10(14)8-16-12)17-7-3-4-11(15)9-17/h5-6,8,11,13H,2-4,7,9,15H2,1H3
InChIKeyJBRZIZZYILLEDA-UHFFFAOYSA-N
XLogP2.09
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-3-amine?
The IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-3-amine (CID 112585618) is 1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-3-amine.
What is the SMILES notation for 1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-3-amine?
The canonical SMILES for 1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-3-amine is CCC(c1ccc(F)cn1)N1CCCC(N)C1.
What is the InChIKey of 1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-3-amine?
The InChIKey is JBRZIZZYILLEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-2-13(12-6-5-10(14)8-16-12)17-7-3-4-11(15)9-17/h5-6,8,11,13H,2-4,7,9,15H2,1H3.
What are the key properties of 1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-3-amine?
1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-3-amine has a molecular weight of 237.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-3-amine is sourced from PubChem (CID 112585618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).