1-(4-fluorophenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine

C27H31FN2O2 — CID 25158436

IUPAC1-(4-fluorophenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine
SMILESCOc1cccc(CCc2ccccc2OCCN2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C27H31FN2O2/c1-31-26-7-4-5-22(21-26)9-10-23-6-2-3-8-27(23)32-20-19-29-15-17-30(18-16-29)25-13-11-24(28)12-14-25/h2-8,11-14,21H,9-10,15-20H2,1H3
InChIKeySDSWHYXPIOTKDV-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.82
Rot. Bonds9

About 1-(4-fluorophenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine

1-(4-fluorophenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine (PubChem CID 25158436) has the molecular formula C27H31FN2O2 and a molecular weight of 434.56 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine
PubChem CID25158436
Molecular FormulaC27H31FN2O2
Molecular Weight434.56 g/mol
Exact Mass434.24
IUPAC Name1-(4-fluorophenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine
SMILESCOc1cccc(CCc2ccccc2OCCN2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C27H31FN2O2/c1-31-26-7-4-5-22(21-26)9-10-23-6-2-3-8-27(23)32-20-19-29-15-17-30(18-16-29)25-13-11-24(28)12-14-25/h2-8,11-14,21H,9-10,15-20H2,1H3
InChIKeySDSWHYXPIOTKDV-UHFFFAOYSA-N
XLogP4.82
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine (CID 25158436) is 1-(4-fluorophenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine is COc1cccc(CCc2ccccc2OCCN2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine?
The InChIKey is SDSWHYXPIOTKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN2O2/c1-31-26-7-4-5-22(21-26)9-10-23-6-2-3-8-27(23)32-20-19-29-15-17-30(18-16-29)25-13-11-24(28)12-14-25/h2-8,11-14,21H,9-10,15-20H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine?
1-(4-fluorophenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine has a molecular weight of 434.56 g/mol, XLogP of 4.82, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine is sourced from PubChem (CID 25158436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).