1-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid

C19H24N2O6 — CID 24762012

IUPAC1-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid
SMILESCOc1cccc(CN2CCN(Cc3ccco3)CC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H22N2O2.C2H2O4/c1-20-16-5-2-4-15(12-16)13-18-7-9-19(10-8-18)14-17-6-3-11-21-17;3-1(4)2(5)6/h2-6,11-12H,7-10,13-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyDSZOJQXTCLXHNQ-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.76
Rot. Bonds5

About 1-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid

1-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid (PubChem CID 24762012) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid
PubChem CID24762012
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name1-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid
SMILESCOc1cccc(CN2CCN(Cc3ccco3)CC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H22N2O2.C2H2O4/c1-20-16-5-2-4-15(12-16)13-18-7-9-19(10-8-18)14-17-6-3-11-21-17;3-1(4)2(5)6/h2-6,11-12H,7-10,13-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyDSZOJQXTCLXHNQ-UHFFFAOYSA-N
XLogP1.76
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.76
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-[(3-methoxyphenyl)methyl]piperazine;oxalic acid?
The IUPAC name of 1-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid (CID 24762012) is 1-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid is COc1cccc(CN2CCN(Cc3ccco3)CC2)c1.O=C(O)C(=O)O.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid?
The InChIKey is DSZOJQXTCLXHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2.C2H2O4/c1-20-16-5-2-4-15(12-16)13-18-7-9-19(10-8-18)14-17-6-3-11-21-17;3-1(4)2(5)6/h2-6,11-12H,7-10,13-14H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid?
1-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid has a molecular weight of 376.41 g/mol, XLogP of 1.76, 5 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-[(3-methoxyphenyl)methyl]piperazine;oxalic acid is sourced from PubChem (CID 24762012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).