1-[(2,4-difluorophenyl)methyl]-4-pyridin-2-ylpiperazine

C16H17F2N3 — CID 763698

IUPAC1-[(2,4-difluorophenyl)methyl]-4-pyridin-2-ylpiperazine
SMILESFc1ccc(CN2CCN(c3ccccn3)CC2)c(F)c1
InChIInChI=1S/C16H17F2N3/c17-14-5-4-13(15(18)11-14)12-20-7-9-21(10-8-20)16-3-1-2-6-19-16/h1-6,11H,7-10,12H2
InChIKeyZEUTWELMFYAPHE-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.68
Rot. Bonds3

About 1-[(2,4-difluorophenyl)methyl]-4-pyridin-2-ylpiperazine

1-[(2,4-difluorophenyl)methyl]-4-pyridin-2-ylpiperazine (PubChem CID 763698) has the molecular formula C16H17F2N3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-4-pyridin-2-ylpiperazine
PubChem CID763698
Molecular FormulaC16H17F2N3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-[(2,4-difluorophenyl)methyl]-4-pyridin-2-ylpiperazine
SMILESFc1ccc(CN2CCN(c3ccccn3)CC2)c(F)c1
InChIInChI=1S/C16H17F2N3/c17-14-5-4-13(15(18)11-14)12-20-7-9-21(10-8-20)16-3-1-2-6-19-16/h1-6,11H,7-10,12H2
InChIKeyZEUTWELMFYAPHE-UHFFFAOYSA-N
XLogP2.68
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-4-pyridin-2-ylpiperazine (CID 763698) is 1-[(2,4-difluorophenyl)methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-4-pyridin-2-ylpiperazine is Fc1ccc(CN2CCN(c3ccccn3)CC2)c(F)c1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is ZEUTWELMFYAPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3/c17-14-5-4-13(15(18)11-14)12-20-7-9-21(10-8-20)16-3-1-2-6-19-16/h1-6,11H,7-10,12H2.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-4-pyridin-2-ylpiperazine?
1-[(2,4-difluorophenyl)methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 289.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 763698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).