2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine

C16H25NO — CID 103616830

IUPAC2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
SMILESCCc1cccc(OCCC2CCCCN2C)c1
InChIInChI=1S/C16H25NO/c1-3-14-7-6-9-16(13-14)18-12-10-15-8-4-5-11-17(15)2/h6-7,9,13,15H,3-5,8,10-12H2,1-2H3
InChIKeyWPCHMLFQTXDOPD-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.50
Rot. Bonds5

About 2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine

2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine (PubChem CID 103616830) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine.

Molecular Properties

Compound Name2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
PubChem CID103616830
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
SMILESCCc1cccc(OCCC2CCCCN2C)c1
InChIInChI=1S/C16H25NO/c1-3-14-7-6-9-16(13-14)18-12-10-15-8-4-5-11-17(15)2/h6-7,9,13,15H,3-5,8,10-12H2,1-2H3
InChIKeyWPCHMLFQTXDOPD-UHFFFAOYSA-N
XLogP3.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
(1R)-1-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol
CID 107912832
3-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 107913130
3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 102823660
1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 79168162
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 61102124
3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912530
[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine
CID 102814695
2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride
CID 57497623
(2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine
CID 28749803

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine?
The IUPAC name of 2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine (CID 103616830) is 2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine.
What is the SMILES notation for 2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine?
The canonical SMILES for 2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine is CCc1cccc(OCCC2CCCCN2C)c1.
What is the InChIKey of 2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine?
The InChIKey is WPCHMLFQTXDOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-14-7-6-9-16(13-14)18-12-10-15-8-4-5-11-17(15)2/h6-7,9,13,15H,3-5,8,10-12H2,1-2H3.
What are the key properties of 2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine?
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine has a molecular weight of 247.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine is sourced from PubChem (CID 103616830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).