4-[3-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)phenyl]propyl]morpholine

C26H30F3N3O2 — CID 73332524

IUPAC4-[3-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)phenyl]propyl]morpholine
SMILESFC(F)(F)c1cccc(C(CCN2CCN(c3cccc4ccoc34)CC2)N2CCOCC2)c1
InChIInChI=1S/C26H30F3N3O2/c27-26(28,29)22-5-1-4-21(19-22)23(32-14-17-33-18-15-32)7-9-30-10-12-31(13-11-30)24-6-2-3-20-8-16-34-25(20)24/h1-6,8,16,19,23H,7,9-15,17-18H2
InChIKeyWYOZCXDZJAKEEC-UHFFFAOYSA-N
MW473.54 g/mol
LogP5.04
Rot. Bonds6

About 4-[3-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)phenyl]propyl]morpholine

4-[3-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)phenyl]propyl]morpholine (PubChem CID 73332524) has the molecular formula C26H30F3N3O2 and a molecular weight of 473.54 g/mol. Its IUPAC name is 4-[3-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)phenyl]propyl]morpholine
PubChem CID73332524
Molecular FormulaC26H30F3N3O2
Molecular Weight473.54 g/mol
Exact Mass473.23
IUPAC Name4-[3-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)phenyl]propyl]morpholine
SMILESFC(F)(F)c1cccc(C(CCN2CCN(c3cccc4ccoc34)CC2)N2CCOCC2)c1
InChIInChI=1S/C26H30F3N3O2/c27-26(28,29)22-5-1-4-21(19-22)23(32-14-17-33-18-15-32)7-9-30-10-12-31(13-11-30)24-6-2-3-20-8-16-34-25(20)24/h1-6,8,16,19,23H,7,9-15,17-18H2
InChIKeyWYOZCXDZJAKEEC-UHFFFAOYSA-N
XLogP5.04
TPSA32.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.54
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)phenyl]propyl]morpholine (CID 73332524) is 4-[3-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)phenyl]propyl]morpholine is FC(F)(F)c1cccc(C(CCN2CCN(c3cccc4ccoc34)CC2)N2CCOCC2)c1.
What is the InChIKey of 4-[3-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)phenyl]propyl]morpholine?
The InChIKey is WYOZCXDZJAKEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N3O2/c27-26(28,29)22-5-1-4-21(19-22)23(32-14-17-33-18-15-32)7-9-30-10-12-31(13-11-30)24-6-2-3-20-8-16-34-25(20)24/h1-6,8,16,19,23H,7,9-15,17-18H2.
What are the key properties of 4-[3-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)phenyl]propyl]morpholine?
4-[3-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)phenyl]propyl]morpholine has a molecular weight of 473.54 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(1-benzofuran-7-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)phenyl]propyl]morpholine is sourced from PubChem (CID 73332524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).