1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine

C17H23FN2 — CID 3384319

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C17H23FN2/c18-15-3-1-2-4-16(15)19-7-9-20(10-8-19)17-12-13-5-6-14(17)11-13/h1-4,13-14,17H,5-12H2
InChIKeyXIMGNGTWLQADFN-UHFFFAOYSA-N
MW274.38 g/mol
LogP3.14
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine

1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine (PubChem CID 3384319) has the molecular formula C17H23FN2 and a molecular weight of 274.38 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine
PubChem CID3384319
Molecular FormulaC17H23FN2
Molecular Weight274.38 g/mol
Exact Mass274.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C17H23FN2/c18-15-3-1-2-4-16(15)19-7-9-20(10-8-19)17-12-13-5-6-14(17)11-13/h1-4,13-14,17H,5-12H2
InChIKeyXIMGNGTWLQADFN-UHFFFAOYSA-N
XLogP3.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 53.14
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-(2-fluorophenyl)piperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine (CID 3384319) is 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine is Fc1ccccc1N1CCN(C2CC3CCC2C3)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine?
The InChIKey is XIMGNGTWLQADFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2/c18-15-3-1-2-4-16(15)19-7-9-20(10-8-19)17-12-13-5-6-14(17)11-13/h1-4,13-14,17H,5-12H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine?
1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperazine has a molecular weight of 274.38 g/mol, XLogP of 3.14, 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-(2-fluorophenyl)piperazine is sourced from PubChem (CID 3384319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).