1-[4-(2-fluoropropoxy)phenyl]piperazine

C13H19FN2O — CID 57025823

IUPAC1-[4-(2-fluoropropoxy)phenyl]piperazine
SMILESCC(F)COc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C13H19FN2O/c1-11(14)10-17-13-4-2-12(3-5-13)16-8-6-15-7-9-16/h2-5,11,15H,6-10H2,1H3
InChIKeyJORJCQHUBPUXCJ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.83
Rot. Bonds4

About 1-[4-(2-fluoropropoxy)phenyl]piperazine

1-[4-(2-fluoropropoxy)phenyl]piperazine (PubChem CID 57025823) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[4-(2-fluoropropoxy)phenyl]piperazine.

Molecular Properties

Compound Name1-[4-(2-fluoropropoxy)phenyl]piperazine
PubChem CID57025823
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-[4-(2-fluoropropoxy)phenyl]piperazine
SMILESCC(F)COc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C13H19FN2O/c1-11(14)10-17-13-4-2-12(3-5-13)16-8-6-15-7-9-16/h2-5,11,15H,6-10H2,1H3
InChIKeyJORJCQHUBPUXCJ-UHFFFAOYSA-N
XLogP1.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-[4-(2-fluoropropoxy)phenyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoropropoxy)phenyl]piperazine?
The IUPAC name of 1-[4-(2-fluoropropoxy)phenyl]piperazine (CID 57025823) is 1-[4-(2-fluoropropoxy)phenyl]piperazine.
What is the SMILES notation for 1-[4-(2-fluoropropoxy)phenyl]piperazine?
The canonical SMILES for 1-[4-(2-fluoropropoxy)phenyl]piperazine is CC(F)COc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-[4-(2-fluoropropoxy)phenyl]piperazine?
The InChIKey is JORJCQHUBPUXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-11(14)10-17-13-4-2-12(3-5-13)16-8-6-15-7-9-16/h2-5,11,15H,6-10H2,1H3.
What are the key properties of 1-[4-(2-fluoropropoxy)phenyl]piperazine?
1-[4-(2-fluoropropoxy)phenyl]piperazine has a molecular weight of 238.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoropropoxy)phenyl]piperazine is sourced from PubChem (CID 57025823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).