2-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-phenylethanol

C27H30F2N2O2 — CID 10863340

IUPAC2-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-phenylethanol
SMILESOCC(c1ccccc1)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C27H30F2N2O2/c28-24-10-6-22(7-11-24)27(23-8-12-25(29)13-9-23)33-19-18-30-14-16-31(17-15-30)26(20-32)21-4-2-1-3-5-21/h1-13,26-27,32H,14-20H2
InChIKeyKGAGYAQFFVCWAZ-UHFFFAOYSA-N
MW452.55 g/mol
LogP4.42
Rot. Bonds9

About 2-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-phenylethanol

2-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-phenylethanol (PubChem CID 10863340) has the molecular formula C27H30F2N2O2 and a molecular weight of 452.55 g/mol. Its IUPAC name is 2-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-phenylethanol.

Molecular Properties

Compound Name2-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-phenylethanol
PubChem CID10863340
Molecular FormulaC27H30F2N2O2
Molecular Weight452.55 g/mol
Exact Mass452.23
IUPAC Name2-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-phenylethanol
SMILESOCC(c1ccccc1)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C27H30F2N2O2/c28-24-10-6-22(7-11-24)27(23-8-12-25(29)13-9-23)33-19-18-30-14-16-31(17-15-30)26(20-32)21-4-2-1-3-5-21/h1-13,26-27,32H,14-20H2
InChIKeyKGAGYAQFFVCWAZ-UHFFFAOYSA-N
XLogP4.42
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-phenylethanol?
The IUPAC name of 2-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-phenylethanol (CID 10863340) is 2-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-phenylethanol.
What is the SMILES notation for 2-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-phenylethanol?
The canonical SMILES for 2-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-phenylethanol is OCC(c1ccccc1)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-phenylethanol?
The InChIKey is KGAGYAQFFVCWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N2O2/c28-24-10-6-22(7-11-24)27(23-8-12-25(29)13-9-23)33-19-18-30-14-16-31(17-15-30)26(20-32)21-4-2-1-3-5-21/h1-13,26-27,32H,14-20H2.
What are the key properties of 2-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-phenylethanol?
2-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-phenylethanol has a molecular weight of 452.55 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-phenylethanol is sourced from PubChem (CID 10863340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).