oxalic acid;N-(2-phenylethoxy)piperidin-4-imine

C15H20N2O5 — CID 87666113

IUPACoxalic acid;N-(2-phenylethoxy)piperidin-4-imine
SMILESO=C(O)C(=O)O.c1ccc(CCON=C2CCNCC2)cc1
InChIInChI=1S/C13H18N2O.C2H2O4/c1-2-4-12(5-3-1)8-11-16-15-13-6-9-14-10-7-13;3-1(4)2(5)6/h1-5,14H,6-11H2;(H,3,4)(H,5,6)
InChIKeyANZVEXFJHVRWTA-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.14
Rot. Bonds4

About oxalic acid;N-(2-phenylethoxy)piperidin-4-imine

oxalic acid;N-(2-phenylethoxy)piperidin-4-imine (PubChem CID 87666113) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is oxalic acid;N-(2-phenylethoxy)piperidin-4-imine.

Molecular Properties

Compound Nameoxalic acid;N-(2-phenylethoxy)piperidin-4-imine
PubChem CID87666113
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Nameoxalic acid;N-(2-phenylethoxy)piperidin-4-imine
SMILESO=C(O)C(=O)O.c1ccc(CCON=C2CCNCC2)cc1
InChIInChI=1S/C13H18N2O.C2H2O4/c1-2-4-12(5-3-1)8-11-16-15-13-6-9-14-10-7-13;3-1(4)2(5)6/h1-5,14H,6-11H2;(H,3,4)(H,5,6)
InChIKeyANZVEXFJHVRWTA-UHFFFAOYSA-N
XLogP1.14
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;N-(2-phenylethoxy)piperidin-4-imine?
The IUPAC name of oxalic acid;N-(2-phenylethoxy)piperidin-4-imine (CID 87666113) is oxalic acid;N-(2-phenylethoxy)piperidin-4-imine.
What is the SMILES notation for oxalic acid;N-(2-phenylethoxy)piperidin-4-imine?
The canonical SMILES for oxalic acid;N-(2-phenylethoxy)piperidin-4-imine is O=C(O)C(=O)O.c1ccc(CCON=C2CCNCC2)cc1.
What is the InChIKey of oxalic acid;N-(2-phenylethoxy)piperidin-4-imine?
The InChIKey is ANZVEXFJHVRWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.C2H2O4/c1-2-4-12(5-3-1)8-11-16-15-13-6-9-14-10-7-13;3-1(4)2(5)6/h1-5,14H,6-11H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;N-(2-phenylethoxy)piperidin-4-imine?
oxalic acid;N-(2-phenylethoxy)piperidin-4-imine has a molecular weight of 308.33 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-(2-phenylethoxy)piperidin-4-imine is sourced from PubChem (CID 87666113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).