1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;oxalic acid

C19H21F3N2O5 — CID 17367106

IUPAC1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;oxalic acid
SMILESFC(F)(F)c1ccc(CN2CCN(Cc3ccco3)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H19F3N2O.C2H2O4/c18-17(19,20)15-5-3-14(4-6-15)12-21-7-9-22(10-8-21)13-16-2-1-11-23-16;3-1(4)2(5)6/h1-6,11H,7-10,12-13H2;(H,3,4)(H,5,6)
InChIKeyZYAWNNRESOZTNT-UHFFFAOYSA-N
MW414.38 g/mol
LogP2.77
Rot. Bonds4

About 1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;oxalic acid

1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;oxalic acid (PubChem CID 17367106) has the molecular formula C19H21F3N2O5 and a molecular weight of 414.38 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;oxalic acid.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;oxalic acid
PubChem CID17367106
Molecular FormulaC19H21F3N2O5
Molecular Weight414.38 g/mol
Exact Mass414.14
IUPAC Name1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;oxalic acid
SMILESFC(F)(F)c1ccc(CN2CCN(Cc3ccco3)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H19F3N2O.C2H2O4/c18-17(19,20)15-5-3-14(4-6-15)12-21-7-9-22(10-8-21)13-16-2-1-11-23-16;3-1(4)2(5)6/h1-6,11H,7-10,12-13H2;(H,3,4)(H,5,6)
InChIKeyZYAWNNRESOZTNT-UHFFFAOYSA-N
XLogP2.77
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;oxalic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;oxalic acid?
The IUPAC name of 1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;oxalic acid (CID 17367106) is 1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;oxalic acid.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;oxalic acid?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;oxalic acid is FC(F)(F)c1ccc(CN2CCN(Cc3ccco3)CC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;oxalic acid?
The InChIKey is ZYAWNNRESOZTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O.C2H2O4/c18-17(19,20)15-5-3-14(4-6-15)12-21-7-9-22(10-8-21)13-16-2-1-11-23-16;3-1(4)2(5)6/h1-6,11H,7-10,12-13H2;(H,3,4)(H,5,6).
What are the key properties of 1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;oxalic acid?
1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;oxalic acid has a molecular weight of 414.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;oxalic acid is sourced from PubChem (CID 17367106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).