1-[bis(2-methylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol;oxalic acid

C25H33NO6 — CID 14810476

IUPAC1-[bis(2-methylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol;oxalic acid
SMILESCc1ccccc1C(OCC(O)CN1CCCCC1)c1ccccc1C.O=C(O)C(=O)O
InChIInChI=1S/C23H31NO2.C2H2O4/c1-18-10-4-6-12-21(18)23(22-13-7-5-11-19(22)2)26-17-20(25)16-24-14-8-3-9-15-24;3-1(4)2(5)6/h4-7,10-13,20,23,25H,3,8-9,14-17H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyYIIDGXMOLXYGLO-UHFFFAOYSA-N
MW443.54 g/mol
LogP3.41
Rot. Bonds7

About 1-[bis(2-methylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol;oxalic acid

1-[bis(2-methylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol;oxalic acid (PubChem CID 14810476) has the molecular formula C25H33NO6 and a molecular weight of 443.54 g/mol. Its IUPAC name is 1-[bis(2-methylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol;oxalic acid.

Molecular Properties

Compound Name1-[bis(2-methylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol;oxalic acid
PubChem CID14810476
Molecular FormulaC25H33NO6
Molecular Weight443.54 g/mol
Exact Mass443.23
IUPAC Name1-[bis(2-methylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol;oxalic acid
SMILESCc1ccccc1C(OCC(O)CN1CCCCC1)c1ccccc1C.O=C(O)C(=O)O
InChIInChI=1S/C23H31NO2.C2H2O4/c1-18-10-4-6-12-21(18)23(22-13-7-5-11-19(22)2)26-17-20(25)16-24-14-8-3-9-15-24;3-1(4)2(5)6/h4-7,10-13,20,23,25H,3,8-9,14-17H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyYIIDGXMOLXYGLO-UHFFFAOYSA-N
XLogP3.41
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 53.41
H-Bond Donors ≤ 53
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-[bis(2-methylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol;oxalic acid?
The IUPAC name of 1-[bis(2-methylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol;oxalic acid (CID 14810476) is 1-[bis(2-methylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol;oxalic acid.
What is the SMILES notation for 1-[bis(2-methylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol;oxalic acid?
The canonical SMILES for 1-[bis(2-methylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol;oxalic acid is Cc1ccccc1C(OCC(O)CN1CCCCC1)c1ccccc1C.O=C(O)C(=O)O.
What is the InChIKey of 1-[bis(2-methylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol;oxalic acid?
The InChIKey is YIIDGXMOLXYGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2.C2H2O4/c1-18-10-4-6-12-21(18)23(22-13-7-5-11-19(22)2)26-17-20(25)16-24-14-8-3-9-15-24;3-1(4)2(5)6/h4-7,10-13,20,23,25H,3,8-9,14-17H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 1-[bis(2-methylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol;oxalic acid?
1-[bis(2-methylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol;oxalic acid has a molecular weight of 443.54 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol;oxalic acid is sourced from PubChem (CID 14810476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).