1-[(4-fluorophenyl)methyl]piperazine

C11H15FN2 — CID 796563

IUPAC1-[(4-fluorophenyl)methyl]piperazine
SMILESFc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C11H15FN2/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2
InChIKeyOOSZCNKVJAVHJI-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.23
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]piperazine

1-[(4-fluorophenyl)methyl]piperazine (PubChem CID 796563) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]piperazine
PubChem CID796563
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name1-[(4-fluorophenyl)methyl]piperazine
SMILESFc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C11H15FN2/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2
InChIKeyOOSZCNKVJAVHJI-UHFFFAOYSA-N
XLogP1.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]piperazine (CID 796563) is 1-[(4-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]piperazine is Fc1ccc(CN2CCNCC2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]piperazine?
The InChIKey is OOSZCNKVJAVHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]piperazine?
1-[(4-fluorophenyl)methyl]piperazine has a molecular weight of 194.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 796563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).