1-(furan-2-ylmethyl)-4-(2-methoxyphenyl)piperazine;oxalic acid

C18H22N2O6 — CID 656303

IUPAC1-(furan-2-ylmethyl)-4-(2-methoxyphenyl)piperazine;oxalic acid
SMILESCOc1ccccc1N1CCN(Cc2ccco2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C16H20N2O2.C2H2O4/c1-19-16-7-3-2-6-15(16)18-10-8-17(9-11-18)13-14-5-4-12-20-14;3-1(4)2(5)6/h2-7,12H,8-11,13H2,1H3;(H,3,4)(H,5,6)
InChIKeyXUEATYBTNRDJKT-UHFFFAOYSA-N
MW362.38 g/mol
LogP1.77
Rot. Bonds4

About 1-(furan-2-ylmethyl)-4-(2-methoxyphenyl)piperazine;oxalic acid

1-(furan-2-ylmethyl)-4-(2-methoxyphenyl)piperazine;oxalic acid (PubChem CID 656303) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-(2-methoxyphenyl)piperazine;oxalic acid.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-(2-methoxyphenyl)piperazine;oxalic acid
PubChem CID656303
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Name1-(furan-2-ylmethyl)-4-(2-methoxyphenyl)piperazine;oxalic acid
SMILESCOc1ccccc1N1CCN(Cc2ccco2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C16H20N2O2.C2H2O4/c1-19-16-7-3-2-6-15(16)18-10-8-17(9-11-18)13-14-5-4-12-20-14;3-1(4)2(5)6/h2-7,12H,8-11,13H2,1H3;(H,3,4)(H,5,6)
InChIKeyXUEATYBTNRDJKT-UHFFFAOYSA-N
XLogP1.77
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-(2-methoxyphenyl)piperazine;oxalic acid?
The IUPAC name of 1-(furan-2-ylmethyl)-4-(2-methoxyphenyl)piperazine;oxalic acid (CID 656303) is 1-(furan-2-ylmethyl)-4-(2-methoxyphenyl)piperazine;oxalic acid.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-(2-methoxyphenyl)piperazine;oxalic acid?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-(2-methoxyphenyl)piperazine;oxalic acid is COc1ccccc1N1CCN(Cc2ccco2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-(2-methoxyphenyl)piperazine;oxalic acid?
The InChIKey is XUEATYBTNRDJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.C2H2O4/c1-19-16-7-3-2-6-15(16)18-10-8-17(9-11-18)13-14-5-4-12-20-14;3-1(4)2(5)6/h2-7,12H,8-11,13H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-(furan-2-ylmethyl)-4-(2-methoxyphenyl)piperazine;oxalic acid?
1-(furan-2-ylmethyl)-4-(2-methoxyphenyl)piperazine;oxalic acid has a molecular weight of 362.38 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-(2-methoxyphenyl)piperazine;oxalic acid is sourced from PubChem (CID 656303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).