2-(3,4-diethoxyphenyl)piperidine

C15H23NO2 — CID 4544824

IUPAC2-(3,4-diethoxyphenyl)piperidine
SMILESCCOc1ccc(C2CCCCN2)cc1OCC
InChIInChI=1S/C15H23NO2/c1-3-17-14-9-8-12(11-15(14)18-4-2)13-7-5-6-10-16-13/h8-9,11,13,16H,3-7,10H2,1-2H3
InChIKeyQFVAXUYNYSLQAI-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.30
Rot. Bonds5

About 2-(3,4-diethoxyphenyl)piperidine

2-(3,4-diethoxyphenyl)piperidine (PubChem CID 4544824) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)piperidine.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)piperidine
PubChem CID4544824
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(3,4-diethoxyphenyl)piperidine
SMILESCCOc1ccc(C2CCCCN2)cc1OCC
InChIInChI=1S/C15H23NO2/c1-3-17-14-9-8-12(11-15(14)18-4-2)13-7-5-6-10-16-13/h8-9,11,13,16H,3-7,10H2,1-2H3
InChIKeyQFVAXUYNYSLQAI-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)piperidine?
The IUPAC name of 2-(3,4-diethoxyphenyl)piperidine (CID 4544824) is 2-(3,4-diethoxyphenyl)piperidine.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)piperidine?
The canonical SMILES for 2-(3,4-diethoxyphenyl)piperidine is CCOc1ccc(C2CCCCN2)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)piperidine?
The InChIKey is QFVAXUYNYSLQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-17-14-9-8-12(11-15(14)18-4-2)13-7-5-6-10-16-13/h8-9,11,13,16H,3-7,10H2,1-2H3.
What are the key properties of 2-(3,4-diethoxyphenyl)piperidine?
2-(3,4-diethoxyphenyl)piperidine has a molecular weight of 249.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)piperidine is sourced from PubChem (CID 4544824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).