1-[3-(furan-2-yl)propyl]-4-[4-(trifluoromethyl)phenyl]piperazine

C18H21F3N2O — CID 154464298

IUPAC1-[3-(furan-2-yl)propyl]-4-[4-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCN(CCCc3ccco3)CC2)cc1
InChIInChI=1S/C18H21F3N2O/c19-18(20,21)15-5-7-16(8-6-15)23-12-10-22(11-13-23)9-1-3-17-4-2-14-24-17/h2,4-8,14H,1,3,9-13H2
InChIKeyJDJKYNSRDBBEPJ-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.05
Rot. Bonds5

About 1-[3-(furan-2-yl)propyl]-4-[4-(trifluoromethyl)phenyl]piperazine

1-[3-(furan-2-yl)propyl]-4-[4-(trifluoromethyl)phenyl]piperazine (PubChem CID 154464298) has the molecular formula C18H21F3N2O and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)propyl]-4-[4-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[3-(furan-2-yl)propyl]-4-[4-(trifluoromethyl)phenyl]piperazine
PubChem CID154464298
Molecular FormulaC18H21F3N2O
Molecular Weight338.37 g/mol
Exact Mass338.16
IUPAC Name1-[3-(furan-2-yl)propyl]-4-[4-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCN(CCCc3ccco3)CC2)cc1
InChIInChI=1S/C18H21F3N2O/c19-18(20,21)15-5-7-16(8-6-15)23-12-10-22(11-13-23)9-1-3-17-4-2-14-24-17/h2,4-8,14H,1,3,9-13H2
InChIKeyJDJKYNSRDBBEPJ-UHFFFAOYSA-N
XLogP4.05
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)propyl]-4-[4-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[3-(furan-2-yl)propyl]-4-[4-(trifluoromethyl)phenyl]piperazine (CID 154464298) is 1-[3-(furan-2-yl)propyl]-4-[4-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[3-(furan-2-yl)propyl]-4-[4-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[3-(furan-2-yl)propyl]-4-[4-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1ccc(N2CCN(CCCc3ccco3)CC2)cc1.
What is the InChIKey of 1-[3-(furan-2-yl)propyl]-4-[4-(trifluoromethyl)phenyl]piperazine?
The InChIKey is JDJKYNSRDBBEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O/c19-18(20,21)15-5-7-16(8-6-15)23-12-10-22(11-13-23)9-1-3-17-4-2-14-24-17/h2,4-8,14H,1,3,9-13H2.
What are the key properties of 1-[3-(furan-2-yl)propyl]-4-[4-(trifluoromethyl)phenyl]piperazine?
1-[3-(furan-2-yl)propyl]-4-[4-(trifluoromethyl)phenyl]piperazine has a molecular weight of 338.37 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)propyl]-4-[4-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 154464298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).