oxalic acid;1-[2-[(E)-3-phenylprop-2-enoxy]ethyl]piperidine

C18H25NO5 — CID 70682050

IUPACoxalic acid;1-[2-[(E)-3-phenylprop-2-enoxy]ethyl]piperidine
SMILESC(=C/c1ccccc1)\COCCN1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C16H23NO.C2H2O4/c1-3-8-16(9-4-1)10-7-14-18-15-13-17-11-5-2-6-12-17;3-1(4)2(5)6/h1,3-4,7-10H,2,5-6,11-15H2;(H,3,4)(H,5,6)/b10-7+;
InChIKeyMGEUJTIUYQQPIV-HCUGZAAXSA-N
MW335.40 g/mol
LogP2.36
Rot. Bonds6

About oxalic acid;1-[2-[(E)-3-phenylprop-2-enoxy]ethyl]piperidine

oxalic acid;1-[2-[(E)-3-phenylprop-2-enoxy]ethyl]piperidine (PubChem CID 70682050) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is oxalic acid;1-[2-[(E)-3-phenylprop-2-enoxy]ethyl]piperidine.

Molecular Properties

Compound Nameoxalic acid;1-[2-[(E)-3-phenylprop-2-enoxy]ethyl]piperidine
PubChem CID70682050
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Nameoxalic acid;1-[2-[(E)-3-phenylprop-2-enoxy]ethyl]piperidine
SMILESC(=C/c1ccccc1)\COCCN1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C16H23NO.C2H2O4/c1-3-8-16(9-4-1)10-7-14-18-15-13-17-11-5-2-6-12-17;3-1(4)2(5)6/h1,3-4,7-10H,2,5-6,11-15H2;(H,3,4)(H,5,6)/b10-7+;
InChIKeyMGEUJTIUYQQPIV-HCUGZAAXSA-N
XLogP2.36
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.36
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'}

Analyze oxalic acid;1-[2-[(E)-3-phenylprop-2-enoxy]ethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-[2-[(E)-3-phenylprop-2-enoxy]ethyl]piperidine?
The IUPAC name of oxalic acid;1-[2-[(E)-3-phenylprop-2-enoxy]ethyl]piperidine (CID 70682050) is oxalic acid;1-[2-[(E)-3-phenylprop-2-enoxy]ethyl]piperidine.
What is the SMILES notation for oxalic acid;1-[2-[(E)-3-phenylprop-2-enoxy]ethyl]piperidine?
The canonical SMILES for oxalic acid;1-[2-[(E)-3-phenylprop-2-enoxy]ethyl]piperidine is C(=C/c1ccccc1)\COCCN1CCCCC1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;1-[2-[(E)-3-phenylprop-2-enoxy]ethyl]piperidine?
The InChIKey is MGEUJTIUYQQPIV-HCUGZAAXSA-N. The full InChI is InChI=1S/C16H23NO.C2H2O4/c1-3-8-16(9-4-1)10-7-14-18-15-13-17-11-5-2-6-12-17;3-1(4)2(5)6/h1,3-4,7-10H,2,5-6,11-15H2;(H,3,4)(H,5,6)/b10-7+;.
What are the key properties of oxalic acid;1-[2-[(E)-3-phenylprop-2-enoxy]ethyl]piperidine?
oxalic acid;1-[2-[(E)-3-phenylprop-2-enoxy]ethyl]piperidine has a molecular weight of 335.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-[2-[(E)-3-phenylprop-2-enoxy]ethyl]piperidine is sourced from PubChem (CID 70682050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).