2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperazine

C20H20F6N2O — CID 22393872

IUPAC2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperazine
SMILESFC(F)(F)c1cc(COCC2NCCNC2c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H20F6N2O/c21-19(22,23)15-8-13(9-16(10-15)20(24,25)26)11-29-12-17-18(28-7-6-27-17)14-4-2-1-3-5-14/h1-5,8-10,17-18,27-28H,6-7,11-12H2
InChIKeyNPBCGXJEGXBQSU-UHFFFAOYSA-N
MW418.38 g/mol
LogP4.54
Rot. Bonds5

About 2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperazine

2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperazine (PubChem CID 22393872) has the molecular formula C20H20F6N2O and a molecular weight of 418.38 g/mol. Its IUPAC name is 2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperazine.

Molecular Properties

Compound Name2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperazine
PubChem CID22393872
Molecular FormulaC20H20F6N2O
Molecular Weight418.38 g/mol
Exact Mass418.15
IUPAC Name2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperazine
SMILESFC(F)(F)c1cc(COCC2NCCNC2c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H20F6N2O/c21-19(22,23)15-8-13(9-16(10-15)20(24,25)26)11-29-12-17-18(28-7-6-27-17)14-4-2-1-3-5-14/h1-5,8-10,17-18,27-28H,6-7,11-12H2
InChIKeyNPBCGXJEGXBQSU-UHFFFAOYSA-N
XLogP4.54
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperazine?
The IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperazine (CID 22393872) is 2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperazine.
What is the SMILES notation for 2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperazine?
The canonical SMILES for 2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperazine is FC(F)(F)c1cc(COCC2NCCNC2c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperazine?
The InChIKey is NPBCGXJEGXBQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F6N2O/c21-19(22,23)15-8-13(9-16(10-15)20(24,25)26)11-29-12-17-18(28-7-6-27-17)14-4-2-1-3-5-14/h1-5,8-10,17-18,27-28H,6-7,11-12H2.
What are the key properties of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperazine?
2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperazine has a molecular weight of 418.38 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperazine is sourced from PubChem (CID 22393872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).