oxalic acid;1-[3-(2-phenylphenoxy)propyl]piperidine

C22H27NO5 — CID 2924141

IUPACoxalic acid;1-[3-(2-phenylphenoxy)propyl]piperidine
SMILESO=C(O)C(=O)O.c1ccc(-c2ccccc2OCCCN2CCCCC2)cc1
InChIInChI=1S/C20H25NO.C2H2O4/c1-3-10-18(11-4-1)19-12-5-6-13-20(19)22-17-9-16-21-14-7-2-8-15-21;3-1(4)2(5)6/h1,3-6,10-13H,2,7-9,14-17H2;(H,3,4)(H,5,6)
InChIKeyRXDLRYGYWTVNQO-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.76
Rot. Bonds6

About oxalic acid;1-[3-(2-phenylphenoxy)propyl]piperidine

oxalic acid;1-[3-(2-phenylphenoxy)propyl]piperidine (PubChem CID 2924141) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is oxalic acid;1-[3-(2-phenylphenoxy)propyl]piperidine.

Molecular Properties

Compound Nameoxalic acid;1-[3-(2-phenylphenoxy)propyl]piperidine
PubChem CID2924141
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Nameoxalic acid;1-[3-(2-phenylphenoxy)propyl]piperidine
SMILESO=C(O)C(=O)O.c1ccc(-c2ccccc2OCCCN2CCCCC2)cc1
InChIInChI=1S/C20H25NO.C2H2O4/c1-3-10-18(11-4-1)19-12-5-6-13-20(19)22-17-9-16-21-14-7-2-8-15-21;3-1(4)2(5)6/h1,3-6,10-13H,2,7-9,14-17H2;(H,3,4)(H,5,6)
InChIKeyRXDLRYGYWTVNQO-UHFFFAOYSA-N
XLogP3.76
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 oxalic acid;1-[3-(2-phenylphenoxy)propyl]piperidine?
The IUPAC name of oxalic acid;1-[3-(2-phenylphenoxy)propyl]piperidine (CID 2924141) is oxalic acid;1-[3-(2-phenylphenoxy)propyl]piperidine.
What is the SMILES notation for oxalic acid;1-[3-(2-phenylphenoxy)propyl]piperidine?
The canonical SMILES for oxalic acid;1-[3-(2-phenylphenoxy)propyl]piperidine is O=C(O)C(=O)O.c1ccc(-c2ccccc2OCCCN2CCCCC2)cc1.
What is the InChIKey of oxalic acid;1-[3-(2-phenylphenoxy)propyl]piperidine?
The InChIKey is RXDLRYGYWTVNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO.C2H2O4/c1-3-10-18(11-4-1)19-12-5-6-13-20(19)22-17-9-16-21-14-7-2-8-15-21;3-1(4)2(5)6/h1,3-6,10-13H,2,7-9,14-17H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-[3-(2-phenylphenoxy)propyl]piperidine?
oxalic acid;1-[3-(2-phenylphenoxy)propyl]piperidine has a molecular weight of 385.46 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-[3-(2-phenylphenoxy)propyl]piperidine is sourced from PubChem (CID 2924141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).