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

C16H25NO3 — CID 82354047

IUPAC2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine
SMILESCOc1cccc(OCCOCCC2CCCCN2)c1
InChIInChI=1S/C16H25NO3/c1-18-15-6-4-7-16(13-15)20-12-11-19-10-8-14-5-2-3-9-17-14/h4,6-7,13-14,17H,2-3,5,8-12H2,1H3
InChIKeyGXFYWIOBZDQRMV-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.62
Rot. Bonds8

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

2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine (PubChem CID 82354047) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine.

Molecular Properties

Compound Name2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine
PubChem CID82354047
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine
SMILESCOc1cccc(OCCOCCC2CCCCN2)c1
InChIInChI=1S/C16H25NO3/c1-18-15-6-4-7-16(13-15)20-12-11-19-10-8-14-5-2-3-9-17-14/h4,6-7,13-14,17H,2-3,5,8-12H2,1H3
InChIKeyGXFYWIOBZDQRMV-UHFFFAOYSA-N
XLogP2.62
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine
CID 82354040
methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
CID 86321177
(2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine
CID 28749803
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
(2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine
CID 59752871
2-[2-(3-methoxyphenyl)ethyl]azepane
CID 113443145
2-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]piperidine
CID 82354042
2-[2-(3-methylphenoxy)ethyl]pyrrolidine
CID 23339440
2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine
CID 56830572
2-[2-(3-propoxyphenyl)ethyl]piperidine
CID 62497478
2-(2-phenoxyethoxymethyl)piperidine
CID 24692889
2-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 82354053

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine?
The IUPAC name of 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine (CID 82354047) is 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine.
What is the SMILES notation for 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine?
The canonical SMILES for 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine is COc1cccc(OCCOCCC2CCCCN2)c1.
What is the InChIKey of 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine?
The InChIKey is GXFYWIOBZDQRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-18-15-6-4-7-16(13-15)20-12-11-19-10-8-14-5-2-3-9-17-14/h4,6-7,13-14,17H,2-3,5,8-12H2,1H3.
What are the key properties of 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine?
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine has a molecular weight of 279.38 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine is sourced from PubChem (CID 82354047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).