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

C14H24F3N3 — CID 66201260

IUPAC1-[1-[3-(trifluoromethyl)cyclohexyl]azetidin-3-yl]piperazine
SMILESFC(F)(F)C1CCCC(N2CC(N3CCNCC3)C2)C1
InChIInChI=1S/C14H24F3N3/c15-14(16,17)11-2-1-3-12(8-11)20-9-13(10-20)19-6-4-18-5-7-19/h11-13,18H,1-10H2
InChIKeyCWRISOCVCWIZBQ-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.70
Rot. Bonds2

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

1-[1-[3-(trifluoromethyl)cyclohexyl]azetidin-3-yl]piperazine (PubChem CID 66201260) has the molecular formula C14H24F3N3 and a molecular weight of 291.36 g/mol. Its IUPAC name is 1-[1-[3-(trifluoromethyl)cyclohexyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[3-(trifluoromethyl)cyclohexyl]azetidin-3-yl]piperazine
PubChem CID66201260
Molecular FormulaC14H24F3N3
Molecular Weight291.36 g/mol
Exact Mass291.19
IUPAC Name1-[1-[3-(trifluoromethyl)cyclohexyl]azetidin-3-yl]piperazine
SMILESFC(F)(F)C1CCCC(N2CC(N3CCNCC3)C2)C1
InChIInChI=1S/C14H24F3N3/c15-14(16,17)11-2-1-3-12(8-11)20-9-13(10-20)19-6-4-18-5-7-19/h11-13,18H,1-10H2
InChIKeyCWRISOCVCWIZBQ-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-[1-[3-(trifluoromethyl)cyclohexyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-[3-(trifluoromethyl)cyclohexyl]azetidin-3-yl]piperazine (CID 66201260) is 1-[1-[3-(trifluoromethyl)cyclohexyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[3-(trifluoromethyl)cyclohexyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[3-(trifluoromethyl)cyclohexyl]azetidin-3-yl]piperazine is FC(F)(F)C1CCCC(N2CC(N3CCNCC3)C2)C1.
What is the InChIKey of 1-[1-[3-(trifluoromethyl)cyclohexyl]azetidin-3-yl]piperazine?
The InChIKey is CWRISOCVCWIZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3/c15-14(16,17)11-2-1-3-12(8-11)20-9-13(10-20)19-6-4-18-5-7-19/h11-13,18H,1-10H2.
What are the key properties of 1-[1-[3-(trifluoromethyl)cyclohexyl]azetidin-3-yl]piperazine?
1-[1-[3-(trifluoromethyl)cyclohexyl]azetidin-3-yl]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-[1-[3-(trifluoromethyl)cyclohexyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 66201260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).