1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(trifluoromethyl)phenyl]piperazine

C18H23F3N2 — CID 2846322

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(C3CC4CCC3C4)CC2)c1
InChIInChI=1S/C18H23F3N2/c19-18(20,21)15-2-1-3-16(12-15)22-6-8-23(9-7-22)17-11-13-4-5-14(17)10-13/h1-3,12-14,17H,4-11H2
InChIKeyCFWJZVAHHGUKAG-UHFFFAOYSA-N
MW324.39 g/mol
LogP4.02
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(trifluoromethyl)phenyl]piperazine

1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 2846322) has the molecular formula C18H23F3N2 and a molecular weight of 324.39 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID2846322
Molecular FormulaC18H23F3N2
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(C3CC4CCC3C4)CC2)c1
InChIInChI=1S/C18H23F3N2/c19-18(20,21)15-2-1-3-16(12-15)22-6-8-23(9-7-22)17-11-13-4-5-14(17)10-13/h1-3,12-14,17H,4-11H2
InChIKeyCFWJZVAHHGUKAG-UHFFFAOYSA-N
XLogP4.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(trifluoromethyl)phenyl]piperazine (CID 2846322) is 1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cccc(N2CCN(C3CC4CCC3C4)CC2)c1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is CFWJZVAHHGUKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2/c19-18(20,21)15-2-1-3-16(12-15)22-6-8-23(9-7-22)17-11-13-4-5-14(17)10-13/h1-3,12-14,17H,4-11H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 324.39 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 2846322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).