1-[2-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]piperazine

C14H21FN2O3 — CID 20785273

IUPAC1-[2-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]piperazine
SMILESCOCCOc1cc(N2CCNCC2)c(F)cc1OC
InChIInChI=1S/C14H21FN2O3/c1-18-7-8-20-14-10-12(11(15)9-13(14)19-2)17-5-3-16-4-6-17/h9-10,16H,3-8H2,1-2H3
InChIKeyYIRDRTZMCHLQMZ-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.27
Rot. Bonds6

About 1-[2-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]piperazine

1-[2-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]piperazine (PubChem CID 20785273) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-[2-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]piperazine.

Molecular Properties

Compound Name1-[2-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]piperazine
PubChem CID20785273
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name1-[2-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]piperazine
SMILESCOCCOc1cc(N2CCNCC2)c(F)cc1OC
InChIInChI=1S/C14H21FN2O3/c1-18-7-8-20-14-10-12(11(15)9-13(14)19-2)17-5-3-16-4-6-17/h9-10,16H,3-8H2,1-2H3
InChIKeyYIRDRTZMCHLQMZ-UHFFFAOYSA-N
XLogP1.27
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-fluoro-4-methoxy-5-(2-methoxyethoxy)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-[2-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]piperazine?
The IUPAC name of 1-[2-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]piperazine (CID 20785273) is 1-[2-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]piperazine.
What is the SMILES notation for 1-[2-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]piperazine?
The canonical SMILES for 1-[2-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]piperazine is COCCOc1cc(N2CCNCC2)c(F)cc1OC.
What is the InChIKey of 1-[2-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]piperazine?
The InChIKey is YIRDRTZMCHLQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-18-7-8-20-14-10-12(11(15)9-13(14)19-2)17-5-3-16-4-6-17/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 1-[2-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]piperazine?
1-[2-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]piperazine has a molecular weight of 284.33 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]piperazine is sourced from PubChem (CID 20785273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).