2-(2-dibenzofuran-2-yloxyethyl)-1-pentylpiperidine;oxalic acid

C26H33NO6 — CID 70057119

IUPAC2-(2-dibenzofuran-2-yloxyethyl)-1-pentylpiperidine;oxalic acid
SMILESCCCCCN1CCCCC1CCOc1ccc2oc3ccccc3c2c1.O=C(O)C(=O)O
InChIInChI=1S/C24H31NO2.C2H2O4/c1-2-3-7-15-25-16-8-6-9-19(25)14-17-26-20-12-13-24-22(18-20)21-10-4-5-11-23(21)27-24;3-1(4)2(5)6/h4-5,10-13,18-19H,2-3,6-9,14-17H2,1H3;(H,3,4)(H,5,6)
InChIKeyLIUYIXAEORFSQE-UHFFFAOYSA-N
MW455.55 g/mol
LogP5.56
Rot. Bonds8

About 2-(2-dibenzofuran-2-yloxyethyl)-1-pentylpiperidine;oxalic acid

2-(2-dibenzofuran-2-yloxyethyl)-1-pentylpiperidine;oxalic acid (PubChem CID 70057119) has the molecular formula C26H33NO6 and a molecular weight of 455.55 g/mol. Its IUPAC name is 2-(2-dibenzofuran-2-yloxyethyl)-1-pentylpiperidine;oxalic acid.

Molecular Properties

Compound Name2-(2-dibenzofuran-2-yloxyethyl)-1-pentylpiperidine;oxalic acid
PubChem CID70057119
Molecular FormulaC26H33NO6
Molecular Weight455.55 g/mol
Exact Mass455.23
IUPAC Name2-(2-dibenzofuran-2-yloxyethyl)-1-pentylpiperidine;oxalic acid
SMILESCCCCCN1CCCCC1CCOc1ccc2oc3ccccc3c2c1.O=C(O)C(=O)O
InChIInChI=1S/C24H31NO2.C2H2O4/c1-2-3-7-15-25-16-8-6-9-19(25)14-17-26-20-12-13-24-22(18-20)21-10-4-5-11-23(21)27-24;3-1(4)2(5)6/h4-5,10-13,18-19H,2-3,6-9,14-17H2,1H3;(H,3,4)(H,5,6)
InChIKeyLIUYIXAEORFSQE-UHFFFAOYSA-N
XLogP5.56
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.55
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-dibenzofuran-2-yloxyethyl)-1-pentylpiperidine;oxalic acid?
The IUPAC name of 2-(2-dibenzofuran-2-yloxyethyl)-1-pentylpiperidine;oxalic acid (CID 70057119) is 2-(2-dibenzofuran-2-yloxyethyl)-1-pentylpiperidine;oxalic acid.
What is the SMILES notation for 2-(2-dibenzofuran-2-yloxyethyl)-1-pentylpiperidine;oxalic acid?
The canonical SMILES for 2-(2-dibenzofuran-2-yloxyethyl)-1-pentylpiperidine;oxalic acid is CCCCCN1CCCCC1CCOc1ccc2oc3ccccc3c2c1.O=C(O)C(=O)O.
What is the InChIKey of 2-(2-dibenzofuran-2-yloxyethyl)-1-pentylpiperidine;oxalic acid?
The InChIKey is LIUYIXAEORFSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2.C2H2O4/c1-2-3-7-15-25-16-8-6-9-19(25)14-17-26-20-12-13-24-22(18-20)21-10-4-5-11-23(21)27-24;3-1(4)2(5)6/h4-5,10-13,18-19H,2-3,6-9,14-17H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 2-(2-dibenzofuran-2-yloxyethyl)-1-pentylpiperidine;oxalic acid?
2-(2-dibenzofuran-2-yloxyethyl)-1-pentylpiperidine;oxalic acid has a molecular weight of 455.55 g/mol, XLogP of 5.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dibenzofuran-2-yloxyethyl)-1-pentylpiperidine;oxalic acid is sourced from PubChem (CID 70057119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).