1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperazine

C15H23FN2O — CID 65201736

IUPAC1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperazine
SMILESCC(C)CCOc1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-12(2)5-10-19-13-3-4-15(14(16)11-13)18-8-6-17-7-9-18/h3-4,11-12,17H,5-10H2,1-2H3
InChIKeyYXJSPNKGKZHEEE-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.66
Rot. Bonds5

About 1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperazine

1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperazine (PubChem CID 65201736) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperazine.

Molecular Properties

Compound Name1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperazine
PubChem CID65201736
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperazine
SMILESCC(C)CCOc1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-12(2)5-10-19-13-3-4-15(14(16)11-13)18-8-6-17-7-9-18/h3-4,11-12,17H,5-10H2,1-2H3
InChIKeyYXJSPNKGKZHEEE-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperazine?
The IUPAC name of 1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperazine (CID 65201736) is 1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperazine.
What is the SMILES notation for 1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperazine?
The canonical SMILES for 1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperazine is CC(C)CCOc1ccc(N2CCNCC2)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperazine?
The InChIKey is YXJSPNKGKZHEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-12(2)5-10-19-13-3-4-15(14(16)11-13)18-8-6-17-7-9-18/h3-4,11-12,17H,5-10H2,1-2H3.
What are the key properties of 1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperazine?
1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperazine has a molecular weight of 266.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperazine is sourced from PubChem (CID 65201736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).