(3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine

C15H23NO2 — CID 86321619

IUPAC(3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine
SMILESCCOc1cccc(OCC[C@H]2CCCNC2)c1
InChIInChI=1S/C15H23NO2/c1-2-17-14-6-3-7-15(11-14)18-10-8-13-5-4-9-16-12-13/h3,6-7,11,13,16H,2,4-5,8-10,12H2,1H3/t13-/m1/s1
InChIKeyHVWDCJBEZULNBI-CYBMUJFWSA-N
MW249.35 g/mol
LogP2.85
Rot. Bonds6

About (3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine

(3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine (PubChem CID 86321619) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine
PubChem CID86321619
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine
SMILESCCOc1cccc(OCC[C@H]2CCCNC2)c1
InChIInChI=1S/C15H23NO2/c1-2-17-14-6-3-7-15(11-14)18-10-8-13-5-4-9-16-12-13/h3,6-7,11,13,16H,2,4-5,8-10,12H2,1H3/t13-/m1/s1
InChIKeyHVWDCJBEZULNBI-CYBMUJFWSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(3R)-3-(2-phenoxyethyl)piperidine
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3-[2-[3-(methoxymethyl)phenoxy]ethyl]piperidine
CID 63986374
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(3R)-3-[2-(2-ethoxyphenoxy)ethyl]piperidine
CID 86321016
(3S)-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperidine
CID 86321569
[3-(3-piperidin-3-ylpropoxy)phenyl] acetate
CID 67740923
3-butylpiperidine;ethane;ethoxybenzene
CID 159556445
3-[2-(4-methylphenoxy)ethyl]piperidine
CID 45075559
3-[2-(4-chloro-3-ethylphenoxy)ethyl]piperidine;hydrochloride
CID 56829845

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine?
The IUPAC name of (3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine (CID 86321619) is (3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine.
What is the SMILES notation for (3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine?
The canonical SMILES for (3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine is CCOc1cccc(OCC[C@H]2CCCNC2)c1.
What is the InChIKey of (3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine?
The InChIKey is HVWDCJBEZULNBI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-17-14-6-3-7-15(11-14)18-10-8-13-5-4-9-16-12-13/h3,6-7,11,13,16H,2,4-5,8-10,12H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine?
(3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine has a molecular weight of 249.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine is sourced from PubChem (CID 86321619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).