oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine

C21H25NO5 — CID 23724294

IUPACoxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine
SMILESO=C(O)C(=O)O.c1ccc(COc2cccc(CN3CCCCC3)c2)cc1
InChIInChI=1S/C19H23NO.C2H2O4/c1-3-8-17(9-4-1)16-21-19-11-7-10-18(14-19)15-20-12-5-2-6-13-20;3-1(4)2(5)6/h1,3-4,7-11,14H,2,5-6,12-13,15-16H2;(H,3,4)(H,5,6)
InChIKeyYOEXUHCMNDPWJI-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.41
Rot. Bonds5

About oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine

oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine (PubChem CID 23724294) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Nameoxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine
PubChem CID23724294
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Nameoxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine
SMILESO=C(O)C(=O)O.c1ccc(COc2cccc(CN3CCCCC3)c2)cc1
InChIInChI=1S/C19H23NO.C2H2O4/c1-3-8-17(9-4-1)16-21-19-11-7-10-18(14-19)15-20-12-5-2-6-13-20;3-1(4)2(5)6/h1,3-4,7-11,14H,2,5-6,12-13,15-16H2;(H,3,4)(H,5,6)
InChIKeyYOEXUHCMNDPWJI-UHFFFAOYSA-N
XLogP3.41
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine?
The IUPAC name of oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine (CID 23724294) is oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine.
What is the SMILES notation for oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine?
The canonical SMILES for oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine is O=C(O)C(=O)O.c1ccc(COc2cccc(CN3CCCCC3)c2)cc1.
What is the InChIKey of oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine?
The InChIKey is YOEXUHCMNDPWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO.C2H2O4/c1-3-8-17(9-4-1)16-21-19-11-7-10-18(14-19)15-20-12-5-2-6-13-20;3-1(4)2(5)6/h1,3-4,7-11,14H,2,5-6,12-13,15-16H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine?
oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine has a molecular weight of 371.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine is sourced from PubChem (CID 23724294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).