1-fluoro-4-pyridin-2-ylpiperazine

C9H12FN3 — CID 143401045

IUPAC1-fluoro-4-pyridin-2-ylpiperazine
SMILESFN1CCN(c2ccccn2)CC1
InChIInChI=1S/C9H12FN3/c10-13-7-5-12(6-8-13)9-3-1-2-4-11-9/h1-4H,5-8H2
InChIKeyOLLARKPIDLLIBJ-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.09
Rot. Bonds1

About 1-fluoro-4-pyridin-2-ylpiperazine

1-fluoro-4-pyridin-2-ylpiperazine (PubChem CID 143401045) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-fluoro-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-fluoro-4-pyridin-2-ylpiperazine
PubChem CID143401045
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name1-fluoro-4-pyridin-2-ylpiperazine
SMILESFN1CCN(c2ccccn2)CC1
InChIInChI=1S/C9H12FN3/c10-13-7-5-12(6-8-13)9-3-1-2-4-11-9/h1-4H,5-8H2
InChIKeyOLLARKPIDLLIBJ-UHFFFAOYSA-N
XLogP1.09
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
1-pyridin-2-ylpiperazin-4-ium
CID 3992659
4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
CID 135186029
1-methoxy-4-pyridin-2-ylpiperazine
CID 59857720
2-(4-methylidenepiperidin-1-yl)pyridine
CID 23544056
1-(6-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 133313241
1-methyl-4-pyridin-2-yl-1,4-diazepane
CID 11790022
1-pyridin-2-yl-4-(2,3,4-trifluorophenyl)piperazine
CID 110454799
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
4-pyridin-2-ylpiperazine-1-sulfonic acid
CID 142758233
1-pyridin-1-ium-1-yl-4-pyridin-2-ylpiperazine
CID 123973526

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-fluoro-4-pyridin-2-ylpiperazine (CID 143401045) is 1-fluoro-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-fluoro-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-fluoro-4-pyridin-2-ylpiperazine is FN1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-fluoro-4-pyridin-2-ylpiperazine?
The InChIKey is OLLARKPIDLLIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c10-13-7-5-12(6-8-13)9-3-1-2-4-11-9/h1-4H,5-8H2.
What are the key properties of 1-fluoro-4-pyridin-2-ylpiperazine?
1-fluoro-4-pyridin-2-ylpiperazine has a molecular weight of 181.21 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 143401045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).