3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride

C13H19Cl2NO — CID 56830828

IUPAC3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride
SMILESCCc1ccc(OC2CCCNC2)c(Cl)c1.Cl
InChIInChI=1S/C13H18ClNO.ClH/c1-2-10-5-6-13(12(14)8-10)16-11-4-3-7-15-9-11;/h5-6,8,11,15H,2-4,7,9H2,1H3;1H
InChIKeyVVOMHAIUUQSFLJ-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.45
Rot. Bonds3

About 3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride

3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride (PubChem CID 56830828) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride.

Molecular Properties

Compound Name3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride
PubChem CID56830828
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride
SMILESCCc1ccc(OC2CCCNC2)c(Cl)c1.Cl
InChIInChI=1S/C13H18ClNO.ClH/c1-2-10-5-6-13(12(14)8-10)16-11-4-3-7-15-9-11;/h5-6,8,11,15H,2-4,7,9H2,1H3;1H
InChIKeyVVOMHAIUUQSFLJ-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(2-chloro-4-ethylphenoxy)pyrrolidine
CID 86322321
(3S)-3-(4-bromo-2-chlorophenoxy)piperidine
CID 86317840
3-(2-chloro-4-phenylphenoxy)piperidine;hydrochloride
CID 56830793
(3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine
CID 107664998
(3S)-3-(2,5-dichlorophenoxy)piperidine
CID 26191322
(3S)-3-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine
CID 86322422
4-[(2-chloro-4-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830834
4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]piperidine
CID 117474203
(3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine
CID 86322323
(3R)-3-[4-[(2S)-butan-2-yl]-2-chlorophenoxy]pyrrolidine
CID 86322289
3-(2-ethoxyphenoxy)piperidine;hydrochloride
CID 118366272
(3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine
CID 86322342

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride?
The IUPAC name of 3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride (CID 56830828) is 3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride.
What is the SMILES notation for 3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride?
The canonical SMILES for 3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride is CCc1ccc(OC2CCCNC2)c(Cl)c1.Cl.
What is the InChIKey of 3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride?
The InChIKey is VVOMHAIUUQSFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO.ClH/c1-2-10-5-6-13(12(14)8-10)16-11-4-3-7-15-9-11;/h5-6,8,11,15H,2-4,7,9H2,1H3;1H.
What are the key properties of 3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride?
3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride has a molecular weight of 276.21 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride is sourced from PubChem (CID 56830828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).