2-[4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]pyrimidine

C24H25F3N4O — CID 10646854

IUPAC2-[4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]pyrimidine
SMILESFC(F)(F)c1ccc(OC(CCN2CCN(c3ncccn3)CC2)c2ccccc2)cc1
InChIInChI=1S/C24H25F3N4O/c25-24(26,27)20-7-9-21(10-8-20)32-22(19-5-2-1-3-6-19)11-14-30-15-17-31(18-16-30)23-28-12-4-13-29-23/h1-10,12-13,22H,11,14-18H2
InChIKeyBMVWZIALIBDXGS-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.83
Rot. Bonds7

About 2-[4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]pyrimidine

2-[4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]pyrimidine (PubChem CID 10646854) has the molecular formula C24H25F3N4O and a molecular weight of 442.49 g/mol. Its IUPAC name is 2-[4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]pyrimidine
PubChem CID10646854
Molecular FormulaC24H25F3N4O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name2-[4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]pyrimidine
SMILESFC(F)(F)c1ccc(OC(CCN2CCN(c3ncccn3)CC2)c2ccccc2)cc1
InChIInChI=1S/C24H25F3N4O/c25-24(26,27)20-7-9-21(10-8-20)32-22(19-5-2-1-3-6-19)11-14-30-15-17-31(18-16-30)23-28-12-4-13-29-23/h1-10,12-13,22H,11,14-18H2
InChIKeyBMVWZIALIBDXGS-UHFFFAOYSA-N
XLogP4.83
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]pyrimidine (CID 10646854) is 2-[4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]pyrimidine is FC(F)(F)c1ccc(OC(CCN2CCN(c3ncccn3)CC2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]pyrimidine?
The InChIKey is BMVWZIALIBDXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O/c25-24(26,27)20-7-9-21(10-8-20)32-22(19-5-2-1-3-6-19)11-14-30-15-17-31(18-16-30)23-28-12-4-13-29-23/h1-10,12-13,22H,11,14-18H2.
What are the key properties of 2-[4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]pyrimidine?
2-[4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]pyrimidine has a molecular weight of 442.49 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 10646854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).