1-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazine

C14H19F2N3O — CID 171092428

IUPAC1-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazine
SMILESFc1cnc(C2(F)CCOCC2)c(N2CCNCC2)c1
InChIInChI=1S/C14H19F2N3O/c15-11-9-12(19-5-3-17-4-6-19)13(18-10-11)14(16)1-7-20-8-2-14/h9-10,17H,1-8H2
InChIKeyZEMZFBOBOUBAQQ-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.61
Rot. Bonds2

About 1-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazine

1-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazine (PubChem CID 171092428) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 1-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazine
PubChem CID171092428
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name1-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazine
SMILESFc1cnc(C2(F)CCOCC2)c(N2CCNCC2)c1
InChIInChI=1S/C14H19F2N3O/c15-11-9-12(19-5-3-17-4-6-19)13(18-10-11)14(16)1-7-20-8-2-14/h9-10,17H,1-8H2
InChIKeyZEMZFBOBOUBAQQ-UHFFFAOYSA-N
XLogP1.61
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazine?
The IUPAC name of 1-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazine (CID 171092428) is 1-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazine.
What is the SMILES notation for 1-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazine?
The canonical SMILES for 1-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazine is Fc1cnc(C2(F)CCOCC2)c(N2CCNCC2)c1.
What is the InChIKey of 1-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazine?
The InChIKey is ZEMZFBOBOUBAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c15-11-9-12(19-5-3-17-4-6-19)13(18-10-11)14(16)1-7-20-8-2-14/h9-10,17H,1-8H2.
What are the key properties of 1-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazine?
1-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazine has a molecular weight of 283.32 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(4-fluorooxan-4-yl)-3-pyridinyl]piperazine is sourced from PubChem (CID 171092428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).