(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine

C15H23NO2 — CID 28749865

IUPAC(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
SMILESCCOc1ccc(OCC[C@H]2CCCCN2)cc1
InChIInChI=1S/C15H23NO2/c1-2-17-14-6-8-15(9-7-14)18-12-10-13-5-3-4-11-16-13/h6-9,13,16H,2-5,10-12H2,1H3/t13-/m1/s1
InChIKeyXNMFCQDVUXGKKI-CYBMUJFWSA-N
MW249.35 g/mol
LogP3.00
Rot. Bonds6

About (2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine

(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine (PubChem CID 28749865) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
PubChem CID28749865
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
SMILESCCOc1ccc(OCC[C@H]2CCCCN2)cc1
InChIInChI=1S/C15H23NO2/c1-2-17-14-6-8-15(9-7-14)18-12-10-13-5-3-4-11-16-13/h6-9,13,16H,2-5,10-12H2,1H3/t13-/m1/s1
InChIKeyXNMFCQDVUXGKKI-CYBMUJFWSA-N
XLogP3.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine?
The IUPAC name of (2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine (CID 28749865) is (2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine.
What is the SMILES notation for (2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine?
The canonical SMILES for (2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine is CCOc1ccc(OCC[C@H]2CCCCN2)cc1.
What is the InChIKey of (2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine?
The InChIKey is XNMFCQDVUXGKKI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-17-14-6-8-15(9-7-14)18-12-10-13-5-3-4-11-16-13/h6-9,13,16H,2-5,10-12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine?
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine has a molecular weight of 249.35 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine is sourced from PubChem (CID 28749865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).