oxalic acid;1-(2-phenylpropyl)piperidine

C16H23NO4 — CID 23724331

IUPACoxalic acid;1-(2-phenylpropyl)piperidine
SMILESCC(CN1CCCCC1)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C14H21N.C2H2O4/c1-13(14-8-4-2-5-9-14)12-15-10-6-3-7-11-15;3-1(4)2(5)6/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3;(H,3,4)(H,5,6)
InChIKeyZWZXVPQAUZOJCL-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.43
Rot. Bonds3

About oxalic acid;1-(2-phenylpropyl)piperidine

oxalic acid;1-(2-phenylpropyl)piperidine (PubChem CID 23724331) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is oxalic acid;1-(2-phenylpropyl)piperidine.

Molecular Properties

Compound Nameoxalic acid;1-(2-phenylpropyl)piperidine
PubChem CID23724331
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameoxalic acid;1-(2-phenylpropyl)piperidine
SMILESCC(CN1CCCCC1)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C14H21N.C2H2O4/c1-13(14-8-4-2-5-9-14)12-15-10-6-3-7-11-15;3-1(4)2(5)6/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3;(H,3,4)(H,5,6)
InChIKeyZWZXVPQAUZOJCL-UHFFFAOYSA-N
XLogP2.43
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-phenylpropyl)piperidine?
The IUPAC name of oxalic acid;1-(2-phenylpropyl)piperidine (CID 23724331) is oxalic acid;1-(2-phenylpropyl)piperidine.
What is the SMILES notation for oxalic acid;1-(2-phenylpropyl)piperidine?
The canonical SMILES for oxalic acid;1-(2-phenylpropyl)piperidine is CC(CN1CCCCC1)c1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;1-(2-phenylpropyl)piperidine?
The InChIKey is ZWZXVPQAUZOJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.C2H2O4/c1-13(14-8-4-2-5-9-14)12-15-10-6-3-7-11-15;3-1(4)2(5)6/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-(2-phenylpropyl)piperidine?
oxalic acid;1-(2-phenylpropyl)piperidine has a molecular weight of 293.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-(2-phenylpropyl)piperidine is sourced from PubChem (CID 23724331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).