(2R,6S)-1-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride

C16H26ClNO2 — CID 166629374

IUPAC(2R,6S)-1-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride
SMILESCOc1ccc(OCCN2[C@H](C)CCC[C@@H]2C)cc1.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-13-5-4-6-14(2)17(13)11-12-19-16-9-7-15(18-3)8-10-16;/h7-10,13-14H,4-6,11-12H2,1-3H3;1H/t13-,14+;
InChIKeyIEJANDJMCBZKHC-KAECKJJSSA-N
MW299.84 g/mol
LogP3.76
Rot. Bonds5

About (2R,6S)-1-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride

(2R,6S)-1-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride (PubChem CID 166629374) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is (2R,6S)-1-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride.

Molecular Properties

Compound Name(2R,6S)-1-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride
PubChem CID166629374
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name(2R,6S)-1-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride
SMILESCOc1ccc(OCCN2[C@H](C)CCC[C@@H]2C)cc1.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-13-5-4-6-14(2)17(13)11-12-19-16-9-7-15(18-3)8-10-16;/h7-10,13-14H,4-6,11-12H2,1-3H3;1H/t13-,14+;
InChIKeyIEJANDJMCBZKHC-KAECKJJSSA-N
XLogP3.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pramoxine
CID 4886
Domiphen Bromide
CID 10866
Pramoxine Hydrochloride
CID 73957
N,N-Dimethyl-N-(2-phenoxyethyl)-1-dodecanaminium
CID 3149
Guaiapate
CID 70066
1-(4-Phenoxybutyl)piperidine
CID 2057411
(S)-2-((4-phenoxyphenoxy)methyl)piperidine
CID 29293599
(R)-2-((4-phenoxyphenoxy)methyl)piperidine
CID 29293603
(R/S)-2-((4-phenoxyphenoxy)methyl)piperidine
CID 45253769
N,N-Dimethyl-2-(4-Phenoxyphenoxy)ethanamine
CID 87057595
4-[5-(3-Methylphenoxy)pentyl]morpholine
CID 2202905
Diethyl(2-phenoxyethyl)amine
CID 66150

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-1-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride?
The IUPAC name of (2R,6S)-1-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride (CID 166629374) is (2R,6S)-1-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride.
What is the SMILES notation for (2R,6S)-1-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride?
The canonical SMILES for (2R,6S)-1-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride is COc1ccc(OCCN2[C@H](C)CCC[C@@H]2C)cc1.Cl.
What is the InChIKey of (2R,6S)-1-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride?
The InChIKey is IEJANDJMCBZKHC-KAECKJJSSA-N. The full InChI is InChI=1S/C16H25NO2.ClH/c1-13-5-4-6-14(2)17(13)11-12-19-16-9-7-15(18-3)8-10-16;/h7-10,13-14H,4-6,11-12H2,1-3H3;1H/t13-,14+;.
What are the key properties of (2R,6S)-1-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride?
(2R,6S)-1-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride has a molecular weight of 299.84 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-1-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride is sourced from PubChem (CID 166629374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).