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

C15H23NO — CID 28749803

IUPAC(2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine
SMILESCCc1cccc(OCC[C@@H]2CCCCN2)c1
InChIInChI=1S/C15H23NO/c1-2-13-6-5-8-15(12-13)17-11-9-14-7-3-4-10-16-14/h5-6,8,12,14,16H,2-4,7,9-11H2,1H3/t14-/m0/s1
InChIKeyAZKYHQIRHZQMCQ-AWEZNQCLSA-N
MW233.35 g/mol
LogP3.16
Rot. Bonds5

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

(2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine (PubChem CID 28749803) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine
PubChem CID28749803
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine
SMILESCCc1cccc(OCC[C@@H]2CCCCN2)c1
InChIInChI=1S/C15H23NO/c1-2-13-6-5-8-15(12-13)17-11-9-14-7-3-4-10-16-14/h5-6,8,12,14,16H,2-4,7,9-11H2,1H3/t14-/m0/s1
InChIKeyAZKYHQIRHZQMCQ-AWEZNQCLSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine
CID 82354040
2-[2-(3-propoxyphenyl)ethyl]piperidine
CID 62497478
(2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine
CID 59752871
2-[2-(3-methylphenoxy)ethyl]pyrrolidine
CID 23339440
methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
CID 86321177
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine
CID 82354047
2-[2-(2-bromo-4-ethylphenoxy)ethyl]piperidine
CID 56829684
2-(3-ethylphenoxy)piperidine
CID 91241218
2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride
CID 56830416
2-[2-(3-methoxyphenyl)ethyl]azepane
CID 113443145
2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride
CID 56830376

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine?
The IUPAC name of (2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine (CID 28749803) is (2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine.
What is the SMILES notation for (2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine?
The canonical SMILES for (2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine is CCc1cccc(OCC[C@@H]2CCCCN2)c1.
What is the InChIKey of (2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine?
The InChIKey is AZKYHQIRHZQMCQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-13-6-5-8-15(12-13)17-11-9-14-7-3-4-10-16-14/h5-6,8,12,14,16H,2-4,7,9-11H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine?
(2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine has a molecular weight of 233.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine is sourced from PubChem (CID 28749803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).