1-(azetidin-3-yl)-4-[3-(trifluoromethyl)cyclohexyl]piperazine

C14H24F3N3 — CID 66203283

IUPAC1-(azetidin-3-yl)-4-[3-(trifluoromethyl)cyclohexyl]piperazine
SMILESFC(F)(F)C1CCCC(N2CCN(C3CNC3)CC2)C1
InChIInChI=1S/C14H24F3N3/c15-14(16,17)11-2-1-3-12(8-11)19-4-6-20(7-5-19)13-9-18-10-13/h11-13,18H,1-10H2
InChIKeyCWFTZSZSSKZYND-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.70
Rot. Bonds2

About 1-(azetidin-3-yl)-4-[3-(trifluoromethyl)cyclohexyl]piperazine

1-(azetidin-3-yl)-4-[3-(trifluoromethyl)cyclohexyl]piperazine (PubChem CID 66203283) has the molecular formula C14H24F3N3 and a molecular weight of 291.36 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-[3-(trifluoromethyl)cyclohexyl]piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-[3-(trifluoromethyl)cyclohexyl]piperazine
PubChem CID66203283
Molecular FormulaC14H24F3N3
Molecular Weight291.36 g/mol
Exact Mass291.19
IUPAC Name1-(azetidin-3-yl)-4-[3-(trifluoromethyl)cyclohexyl]piperazine
SMILESFC(F)(F)C1CCCC(N2CCN(C3CNC3)CC2)C1
InChIInChI=1S/C14H24F3N3/c15-14(16,17)11-2-1-3-12(8-11)19-4-6-20(7-5-19)13-9-18-10-13/h11-13,18H,1-10H2
InChIKeyCWFTZSZSSKZYND-UHFFFAOYSA-N
XLogP1.70
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.70
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-[3-(trifluoromethyl)cyclohexyl]piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-[3-(trifluoromethyl)cyclohexyl]piperazine (CID 66203283) is 1-(azetidin-3-yl)-4-[3-(trifluoromethyl)cyclohexyl]piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-[3-(trifluoromethyl)cyclohexyl]piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-[3-(trifluoromethyl)cyclohexyl]piperazine is FC(F)(F)C1CCCC(N2CCN(C3CNC3)CC2)C1.
What is the InChIKey of 1-(azetidin-3-yl)-4-[3-(trifluoromethyl)cyclohexyl]piperazine?
The InChIKey is CWFTZSZSSKZYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3/c15-14(16,17)11-2-1-3-12(8-11)19-4-6-20(7-5-19)13-9-18-10-13/h11-13,18H,1-10H2.
What are the key properties of 1-(azetidin-3-yl)-4-[3-(trifluoromethyl)cyclohexyl]piperazine?
1-(azetidin-3-yl)-4-[3-(trifluoromethyl)cyclohexyl]piperazine has a molecular weight of 291.36 g/mol, XLogP of 1.70, 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-[3-(trifluoromethyl)cyclohexyl]piperazine is sourced from PubChem (CID 66203283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).