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

C13H19FN2O — CID 59470550

IUPAC1-[4-(2-fluoroethoxymethyl)phenyl]piperazine
SMILESFCCOCc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C13H19FN2O/c14-5-10-17-11-12-1-3-13(4-2-12)16-8-6-15-7-9-16/h1-4,15H,5-11H2
InChIKeyQCHDTPRDARMSRG-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.58
Rot. Bonds5

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

1-[4-(2-fluoroethoxymethyl)phenyl]piperazine (PubChem CID 59470550) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[4-(2-fluoroethoxymethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[4-(2-fluoroethoxymethyl)phenyl]piperazine
PubChem CID59470550
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-[4-(2-fluoroethoxymethyl)phenyl]piperazine
SMILESFCCOCc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C13H19FN2O/c14-5-10-17-11-12-1-3-13(4-2-12)16-8-6-15-7-9-16/h1-4,15H,5-11H2
InChIKeyQCHDTPRDARMSRG-UHFFFAOYSA-N
XLogP1.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoroethoxymethyl)phenyl]piperazine?
The IUPAC name of 1-[4-(2-fluoroethoxymethyl)phenyl]piperazine (CID 59470550) is 1-[4-(2-fluoroethoxymethyl)phenyl]piperazine.
What is the SMILES notation for 1-[4-(2-fluoroethoxymethyl)phenyl]piperazine?
The canonical SMILES for 1-[4-(2-fluoroethoxymethyl)phenyl]piperazine is FCCOCc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-[4-(2-fluoroethoxymethyl)phenyl]piperazine?
The InChIKey is QCHDTPRDARMSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c14-5-10-17-11-12-1-3-13(4-2-12)16-8-6-15-7-9-16/h1-4,15H,5-11H2.
What are the key properties of 1-[4-(2-fluoroethoxymethyl)phenyl]piperazine?
1-[4-(2-fluoroethoxymethyl)phenyl]piperazine has a molecular weight of 238.31 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoroethoxymethyl)phenyl]piperazine is sourced from PubChem (CID 59470550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).