1-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine

C19H23FN2 — CID 782827

IUPAC1-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine
SMILESFc1ccccc1N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C19H23FN2/c20-18-10-4-5-11-19(18)22-15-13-21(14-16-22)12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11H,6,9,12-16H2
InChIKeyIAZJQTIEHDHEQO-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.58
Rot. Bonds5

About 1-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine

1-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine (PubChem CID 782827) has the molecular formula C19H23FN2 and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine
PubChem CID782827
Molecular FormulaC19H23FN2
Molecular Weight298.41 g/mol
Exact Mass298.18
IUPAC Name1-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine
SMILESFc1ccccc1N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C19H23FN2/c20-18-10-4-5-11-19(18)22-15-13-21(14-16-22)12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11H,6,9,12-16H2
InChIKeyIAZJQTIEHDHEQO-UHFFFAOYSA-N
XLogP3.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine (CID 782827) is 1-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine is Fc1ccccc1N1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine?
The InChIKey is IAZJQTIEHDHEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2/c20-18-10-4-5-11-19(18)22-15-13-21(14-16-22)12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11H,6,9,12-16H2.
What are the key properties of 1-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine?
1-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine has a molecular weight of 298.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine is sourced from PubChem (CID 782827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).