1-[3-[4-(4-fluorophenoxy)butoxy]phenyl]piperazine

C20H25FN2O2 — CID 71541073

IUPAC1-[3-[4-(4-fluorophenoxy)butoxy]phenyl]piperazine
SMILESFc1ccc(OCCCCOc2cccc(N3CCNCC3)c2)cc1
InChIInChI=1S/C20H25FN2O2/c21-17-6-8-19(9-7-17)24-14-1-2-15-25-20-5-3-4-18(16-20)23-12-10-22-11-13-23/h3-9,16,22H,1-2,10-15H2
InChIKeyVHQMOFOIILJHJS-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.47
Rot. Bonds8

About 1-[3-[4-(4-fluorophenoxy)butoxy]phenyl]piperazine

1-[3-[4-(4-fluorophenoxy)butoxy]phenyl]piperazine (PubChem CID 71541073) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorophenoxy)butoxy]phenyl]piperazine.

Molecular Properties

Compound Name1-[3-[4-(4-fluorophenoxy)butoxy]phenyl]piperazine
PubChem CID71541073
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name1-[3-[4-(4-fluorophenoxy)butoxy]phenyl]piperazine
SMILESFc1ccc(OCCCCOc2cccc(N3CCNCC3)c2)cc1
InChIInChI=1S/C20H25FN2O2/c21-17-6-8-19(9-7-17)24-14-1-2-15-25-20-5-3-4-18(16-20)23-12-10-22-11-13-23/h3-9,16,22H,1-2,10-15H2
InChIKeyVHQMOFOIILJHJS-UHFFFAOYSA-N
XLogP3.47
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-fluorophenoxy)butoxy]phenyl]piperazine?
The IUPAC name of 1-[3-[4-(4-fluorophenoxy)butoxy]phenyl]piperazine (CID 71541073) is 1-[3-[4-(4-fluorophenoxy)butoxy]phenyl]piperazine.
What is the SMILES notation for 1-[3-[4-(4-fluorophenoxy)butoxy]phenyl]piperazine?
The canonical SMILES for 1-[3-[4-(4-fluorophenoxy)butoxy]phenyl]piperazine is Fc1ccc(OCCCCOc2cccc(N3CCNCC3)c2)cc1.
What is the InChIKey of 1-[3-[4-(4-fluorophenoxy)butoxy]phenyl]piperazine?
The InChIKey is VHQMOFOIILJHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c21-17-6-8-19(9-7-17)24-14-1-2-15-25-20-5-3-4-18(16-20)23-12-10-22-11-13-23/h3-9,16,22H,1-2,10-15H2.
What are the key properties of 1-[3-[4-(4-fluorophenoxy)butoxy]phenyl]piperazine?
1-[3-[4-(4-fluorophenoxy)butoxy]phenyl]piperazine has a molecular weight of 344.43 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-fluorophenoxy)butoxy]phenyl]piperazine is sourced from PubChem (CID 71541073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).