1-(azetidin-3-yl)-4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazine

C14H17F4N3 — CID 107303810

IUPAC1-(azetidin-3-yl)-4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazine
SMILESFc1cc(C(F)(F)F)ccc1N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H17F4N3/c15-12-7-10(14(16,17)18)1-2-13(12)21-5-3-20(4-6-21)11-8-19-9-11/h1-2,7,11,19H,3-6,8-9H2
InChIKeyOJUKUIDJXZIYBM-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.94
Rot. Bonds2

About 1-(azetidin-3-yl)-4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazine

1-(azetidin-3-yl)-4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazine (PubChem CID 107303810) has the molecular formula C14H17F4N3 and a molecular weight of 303.30 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazine
PubChem CID107303810
Molecular FormulaC14H17F4N3
Molecular Weight303.30 g/mol
Exact Mass303.14
IUPAC Name1-(azetidin-3-yl)-4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazine
SMILESFc1cc(C(F)(F)F)ccc1N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H17F4N3/c15-12-7-10(14(16,17)18)1-2-13(12)21-5-3-20(4-6-21)11-8-19-9-11/h1-2,7,11,19H,3-6,8-9H2
InChIKeyOJUKUIDJXZIYBM-UHFFFAOYSA-N
XLogP1.94
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazine (CID 107303810) is 1-(azetidin-3-yl)-4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazine is Fc1cc(C(F)(F)F)ccc1N1CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazine?
The InChIKey is OJUKUIDJXZIYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N3/c15-12-7-10(14(16,17)18)1-2-13(12)21-5-3-20(4-6-21)11-8-19-9-11/h1-2,7,11,19H,3-6,8-9H2.
What are the key properties of 1-(azetidin-3-yl)-4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazine?
1-(azetidin-3-yl)-4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazine has a molecular weight of 303.30 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 107303810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).