4-[(2-chloro-4-ethylphenoxy)methyl]piperidine;hydrochloride

C14H21Cl2NO — CID 56830834

IUPAC4-[(2-chloro-4-ethylphenoxy)methyl]piperidine;hydrochloride
SMILESCCc1ccc(OCC2CCNCC2)c(Cl)c1.Cl
InChIInChI=1S/C14H20ClNO.ClH/c1-2-11-3-4-14(13(15)9-11)17-10-12-5-7-16-8-6-12;/h3-4,9,12,16H,2,5-8,10H2,1H3;1H
InChIKeyHDSOYXOJKNDHMH-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.70
Rot. Bonds4

About 4-[(2-chloro-4-ethylphenoxy)methyl]piperidine;hydrochloride

4-[(2-chloro-4-ethylphenoxy)methyl]piperidine;hydrochloride (PubChem CID 56830834) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 4-[(2-chloro-4-ethylphenoxy)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(2-chloro-4-ethylphenoxy)methyl]piperidine;hydrochloride
PubChem CID56830834
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name4-[(2-chloro-4-ethylphenoxy)methyl]piperidine;hydrochloride
SMILESCCc1ccc(OCC2CCNCC2)c(Cl)c1.Cl
InChIInChI=1S/C14H20ClNO.ClH/c1-2-11-3-4-14(13(15)9-11)17-10-12-5-7-16-8-6-12;/h3-4,9,12,16H,2,5-8,10H2,1H3;1H
InChIKeyHDSOYXOJKNDHMH-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]methyl]piperidine
CID 53410034
4-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperidine
CID 116925686
4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830862
4-[(2-chloro-5-methylphenoxy)methyl]piperidine
CID 26191031
(3S)-3-[(2,4-dichlorophenoxy)methyl]pyrrolidine
CID 86320973
4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine
CID 158221465
(3S)-3-(2-chloro-4-ethylphenoxy)pyrrolidine
CID 86322321
1-(cyclopropylmethoxy)-4-ethyl-2-methylbenzene
CID 155323138
3-chloro-4-ethoxy-N-(piperidin-4-ylmethyl)aniline
CID 79707140
[3-chloro-4-(cyclobutylmethoxy)phenyl]methanol
CID 65459443
3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride
CID 56830828
2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine
CID 117418728

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-ethylphenoxy)methyl]piperidine;hydrochloride?
The IUPAC name of 4-[(2-chloro-4-ethylphenoxy)methyl]piperidine;hydrochloride (CID 56830834) is 4-[(2-chloro-4-ethylphenoxy)methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[(2-chloro-4-ethylphenoxy)methyl]piperidine;hydrochloride?
The canonical SMILES for 4-[(2-chloro-4-ethylphenoxy)methyl]piperidine;hydrochloride is CCc1ccc(OCC2CCNCC2)c(Cl)c1.Cl.
What is the InChIKey of 4-[(2-chloro-4-ethylphenoxy)methyl]piperidine;hydrochloride?
The InChIKey is HDSOYXOJKNDHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO.ClH/c1-2-11-3-4-14(13(15)9-11)17-10-12-5-7-16-8-6-12;/h3-4,9,12,16H,2,5-8,10H2,1H3;1H.
What are the key properties of 4-[(2-chloro-4-ethylphenoxy)methyl]piperidine;hydrochloride?
4-[(2-chloro-4-ethylphenoxy)methyl]piperidine;hydrochloride has a molecular weight of 290.23 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-ethylphenoxy)methyl]piperidine;hydrochloride is sourced from PubChem (CID 56830834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).