1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperazine

C16H17F3N2O2 — CID 141351583

IUPAC1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperazine
SMILESFC(F)(F)Oc1ccc(-c2ccc(CN3CCNCC3)o2)cc1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)23-13-3-1-12(2-4-13)15-6-5-14(22-15)11-21-9-7-20-8-10-21/h1-6,20H,7-11H2
InChIKeyBJJSWAXVSZWHBM-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.25
Rot. Bonds4

About 1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperazine

1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperazine (PubChem CID 141351583) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperazine
PubChem CID141351583
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperazine
SMILESFC(F)(F)Oc1ccc(-c2ccc(CN3CCNCC3)o2)cc1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)23-13-3-1-12(2-4-13)15-6-5-14(22-15)11-21-9-7-20-8-10-21/h1-6,20H,7-11H2
InChIKeyBJJSWAXVSZWHBM-UHFFFAOYSA-N
XLogP3.25
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]piperazine
CID 90732660
1-[(5-phenylfuran-2-yl)methyl]piperazine;N-(2,2,2-trifluoroethyl)formamide
CID 142065736
1-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane;hydrochloride
CID 119906729
1-[[4,4-dimethyl-2-[4-(trifluoromethoxy)phenyl]cyclohexen-1-yl]methyl]piperazine
CID 141314202
1-[[4-[3-[4-(trifluoromethoxy)phenyl]propoxy]phenyl]methyl]piperazine
CID 141351579
1-[(5-bromofuran-2-yl)methyl]piperazine
CID 43143137
5-(piperazin-1-ylmethyl)furan-2-amine
CID 82503886
1-[(5-ethylfuran-2-yl)methyl]piperazine
CID 62346737
1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 86767631
1-[(R)-(5-ethylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171295142
1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 18348182
1-[[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]methyl]-1,4-diazepane
CID 90744038

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperazine?
The IUPAC name of 1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperazine (CID 141351583) is 1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperazine.
What is the SMILES notation for 1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperazine?
The canonical SMILES for 1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperazine is FC(F)(F)Oc1ccc(-c2ccc(CN3CCNCC3)o2)cc1.
What is the InChIKey of 1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperazine?
The InChIKey is BJJSWAXVSZWHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c17-16(18,19)23-13-3-1-12(2-4-13)15-6-5-14(22-15)11-21-9-7-20-8-10-21/h1-6,20H,7-11H2.
What are the key properties of 1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperazine?
1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperazine has a molecular weight of 326.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperazine is sourced from PubChem (CID 141351583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).