(2S)-2-(5-fluoro-3-pyridinyl)piperazine

C9H12FN3 — CID 55265229

IUPAC(2S)-2-(5-fluoro-3-pyridinyl)piperazine
SMILESFc1cncc([C@H]2CNCCN2)c1
InChIInChI=1S/C9H12FN3/c10-8-3-7(4-12-5-8)9-6-11-1-2-13-9/h3-5,9,11,13H,1-2,6H2/t9-/m1/s1
InChIKeyCPCJPFFGGNLWIY-SECBINFHSA-N
MW181.21 g/mol
LogP0.45
Rot. Bonds1

About (2S)-2-(5-fluoro-3-pyridinyl)piperazine

(2S)-2-(5-fluoro-3-pyridinyl)piperazine (PubChem CID 55265229) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is (2S)-2-(5-fluoro-3-pyridinyl)piperazine.

Molecular Properties

Compound Name(2S)-2-(5-fluoro-3-pyridinyl)piperazine
PubChem CID55265229
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name(2S)-2-(5-fluoro-3-pyridinyl)piperazine
SMILESFc1cncc([C@H]2CNCCN2)c1
InChIInChI=1S/C9H12FN3/c10-8-3-7(4-12-5-8)9-6-11-1-2-13-9/h3-5,9,11,13H,1-2,6H2/t9-/m1/s1
InChIKeyCPCJPFFGGNLWIY-SECBINFHSA-N
XLogP0.45
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-fluoro-3-pyridinyl)piperazine?
The IUPAC name of (2S)-2-(5-fluoro-3-pyridinyl)piperazine (CID 55265229) is (2S)-2-(5-fluoro-3-pyridinyl)piperazine.
What is the SMILES notation for (2S)-2-(5-fluoro-3-pyridinyl)piperazine?
The canonical SMILES for (2S)-2-(5-fluoro-3-pyridinyl)piperazine is Fc1cncc([C@H]2CNCCN2)c1.
What is the InChIKey of (2S)-2-(5-fluoro-3-pyridinyl)piperazine?
The InChIKey is CPCJPFFGGNLWIY-SECBINFHSA-N. The full InChI is InChI=1S/C9H12FN3/c10-8-3-7(4-12-5-8)9-6-11-1-2-13-9/h3-5,9,11,13H,1-2,6H2/t9-/m1/s1.
What are the key properties of (2S)-2-(5-fluoro-3-pyridinyl)piperazine?
(2S)-2-(5-fluoro-3-pyridinyl)piperazine has a molecular weight of 181.21 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-fluoro-3-pyridinyl)piperazine is sourced from PubChem (CID 55265229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).