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

C19H24N2O5 — CID 17367010

IUPAC1-(furan-2-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine;oxalic acid
SMILESCc1cccc(CN2CCN(Cc3ccco3)CC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H22N2O.C2H2O4/c1-15-4-2-5-16(12-15)13-18-7-9-19(10-8-18)14-17-6-3-11-20-17;3-1(4)2(5)6/h2-6,11-12H,7-10,13-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyDMRRPEIRCSSFFP-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.06
Rot. Bonds4

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

1-(furan-2-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine;oxalic acid (PubChem CID 17367010) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine;oxalic acid.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine;oxalic acid
PubChem CID17367010
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name1-(furan-2-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine;oxalic acid
SMILESCc1cccc(CN2CCN(Cc3ccco3)CC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H22N2O.C2H2O4/c1-15-4-2-5-16(12-15)13-18-7-9-19(10-8-18)14-17-6-3-11-20-17;3-1(4)2(5)6/h2-6,11-12H,7-10,13-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyDMRRPEIRCSSFFP-UHFFFAOYSA-N
XLogP2.06
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methylphenyl)methyl]piperazine;oxalic acid?
The IUPAC name of 1-(furan-2-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine;oxalic acid (CID 17367010) is 1-(furan-2-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine;oxalic acid.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine;oxalic acid?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine;oxalic acid is Cc1cccc(CN2CCN(Cc3ccco3)CC2)c1.O=C(O)C(=O)O.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine;oxalic acid?
The InChIKey is DMRRPEIRCSSFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O.C2H2O4/c1-15-4-2-5-16(12-15)13-18-7-9-19(10-8-18)14-17-6-3-11-20-17;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-methylphenyl)methyl]piperazine;oxalic acid?
1-(furan-2-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine;oxalic acid has a molecular weight of 360.41 g/mol, XLogP of 2.06, 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-[(3-methylphenyl)methyl]piperazine;oxalic acid is sourced from PubChem (CID 17367010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).