2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine

C17H27NO2 — CID 82354040

IUPAC2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine
SMILESCCc1cccc(OCCOCCC2CCCCN2)c1
InChIInChI=1S/C17H27NO2/c1-2-15-6-5-8-17(14-15)20-13-12-19-11-9-16-7-3-4-10-18-16/h5-6,8,14,16,18H,2-4,7,9-13H2,1H3
InChIKeyZWJBTQLBWURSPB-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.18
Rot. Bonds8

About 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine

2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine (PubChem CID 82354040) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine.

Molecular Properties

Compound Name2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine
PubChem CID82354040
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine
SMILESCCc1cccc(OCCOCCC2CCCCN2)c1
InChIInChI=1S/C17H27NO2/c1-2-15-6-5-8-17(14-15)20-13-12-19-11-9-16-7-3-4-10-18-16/h5-6,8,14,16,18H,2-4,7,9-13H2,1H3
InChIKeyZWJBTQLBWURSPB-UHFFFAOYSA-N
XLogP3.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine
CID 28749803
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine
CID 82354047
2-[2-(3-propoxyphenyl)ethyl]piperidine
CID 62497478
methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
CID 86321177
(2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine
CID 59752871
2-[2-(3-methylphenoxy)ethyl]pyrrolidine
CID 23339440
2-(3-ethylphenoxy)piperidine
CID 91241218
1-(2-ethoxyethoxy)-3-ethylbenzene
CID 60642871
methyl 3-(2-piperidin-2-ylethoxymethyl)benzoate
CID 82353189
2-[2-(3-methoxyphenyl)ethyl]azepane
CID 113443145
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
2-[2-(2-bromo-4-ethylphenoxy)ethyl]piperidine
CID 56829684

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine?
The IUPAC name of 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine (CID 82354040) is 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine.
What is the SMILES notation for 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine?
The canonical SMILES for 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine is CCc1cccc(OCCOCCC2CCCCN2)c1.
What is the InChIKey of 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine?
The InChIKey is ZWJBTQLBWURSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-15-6-5-8-17(14-15)20-13-12-19-11-9-16-7-3-4-10-18-16/h5-6,8,14,16,18H,2-4,7,9-13H2,1H3.
What are the key properties of 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine?
2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine has a molecular weight of 277.41 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine is sourced from PubChem (CID 82354040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).