1-[4-(4-fluorophenyl)butyl]-4-(2-methoxyphenyl)piperazine

C21H27FN2O — CID 10593421

IUPAC1-[4-(4-fluorophenyl)butyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCCCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H27FN2O/c1-25-21-8-3-2-7-20(21)24-16-14-23(15-17-24)13-5-4-6-18-9-11-19(22)12-10-18/h2-3,7-12H,4-6,13-17H2,1H3
InChIKeyOHHOLPBLYOJVEF-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.98
Rot. Bonds7

About 1-[4-(4-fluorophenyl)butyl]-4-(2-methoxyphenyl)piperazine

1-[4-(4-fluorophenyl)butyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 10593421) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)butyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)butyl]-4-(2-methoxyphenyl)piperazine
PubChem CID10593421
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC Name1-[4-(4-fluorophenyl)butyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCCCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H27FN2O/c1-25-21-8-3-2-7-20(21)24-16-14-23(15-17-24)13-5-4-6-18-9-11-19(22)12-10-18/h2-3,7-12H,4-6,13-17H2,1H3
InChIKeyOHHOLPBLYOJVEF-UHFFFAOYSA-N
XLogP3.98
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[4-(4-fluorophenyl)butyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[4-(4-fluorophenyl)butyl]-4-(2-methoxyphenyl)piperazine (CID 10593421) is 1-[4-(4-fluorophenyl)butyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[4-(4-fluorophenyl)butyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[4-(4-fluorophenyl)butyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CCCCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)butyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is OHHOLPBLYOJVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O/c1-25-21-8-3-2-7-20(21)24-16-14-23(15-17-24)13-5-4-6-18-9-11-19(22)12-10-18/h2-3,7-12H,4-6,13-17H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)butyl]-4-(2-methoxyphenyl)piperazine?
1-[4-(4-fluorophenyl)butyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 342.46 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)butyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 10593421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).