2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol;oxalic acid

C19H25NO7 — CID 664716

IUPAC2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol;oxalic acid
SMILESCCCC1C(c2ccco2)NC(c2ccco2)CC1(C)O.O=C(O)C(=O)O
InChIInChI=1S/C17H23NO3.C2H2O4/c1-3-6-12-16(15-8-5-10-21-15)18-13(11-17(12,2)19)14-7-4-9-20-14;3-1(4)2(5)6/h4-5,7-10,12-13,16,18-19H,3,6,11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyBOWDJENQGLZOHW-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.97
Rot. Bonds4

About 2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol;oxalic acid

2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol;oxalic acid (PubChem CID 664716) has the molecular formula C19H25NO7 and a molecular weight of 379.41 g/mol. Its IUPAC name is 2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol;oxalic acid.

Molecular Properties

Compound Name2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol;oxalic acid
PubChem CID664716
Molecular FormulaC19H25NO7
Molecular Weight379.41 g/mol
Exact Mass379.16
IUPAC Name2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol;oxalic acid
SMILESCCCC1C(c2ccco2)NC(c2ccco2)CC1(C)O.O=C(O)C(=O)O
InChIInChI=1S/C17H23NO3.C2H2O4/c1-3-6-12-16(15-8-5-10-21-15)18-13(11-17(12,2)19)14-7-4-9-20-14;3-1(4)2(5)6/h4-5,7-10,12-13,16,18-19H,3,6,11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyBOWDJENQGLZOHW-UHFFFAOYSA-N
XLogP2.97
TPSA133.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.97
H-Bond Donors ≤ 54
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 2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol;oxalic acid?
The IUPAC name of 2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol;oxalic acid (CID 664716) is 2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol;oxalic acid.
What is the SMILES notation for 2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol;oxalic acid?
The canonical SMILES for 2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol;oxalic acid is CCCC1C(c2ccco2)NC(c2ccco2)CC1(C)O.O=C(O)C(=O)O.
What is the InChIKey of 2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol;oxalic acid?
The InChIKey is BOWDJENQGLZOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3.C2H2O4/c1-3-6-12-16(15-8-5-10-21-15)18-13(11-17(12,2)19)14-7-4-9-20-14;3-1(4)2(5)6/h4-5,7-10,12-13,16,18-19H,3,6,11H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol;oxalic acid?
2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol;oxalic acid has a molecular weight of 379.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol;oxalic acid is sourced from PubChem (CID 664716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).