1-[2-(4-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride

C18H30ClNO2 — CID 166629214

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride
SMILESCOc1ccc(OCCN2C(C)(C)CCCC2(C)C)cc1.Cl
InChIInChI=1S/C18H29NO2.ClH/c1-17(2)11-6-12-18(3,4)19(17)13-14-21-16-9-7-15(20-5)8-10-16;/h7-10H,6,11-14H2,1-5H3;1H
InChIKeyPPDDXKHZOQWUDU-UHFFFAOYSA-N
MW327.90 g/mol
LogP4.54
Rot. Bonds5

About 1-[2-(4-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride

1-[2-(4-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride (PubChem CID 166629214) has the molecular formula C18H30ClNO2 and a molecular weight of 327.90 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride
PubChem CID166629214
Molecular FormulaC18H30ClNO2
Molecular Weight327.90 g/mol
Exact Mass327.20
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride
SMILESCOc1ccc(OCCN2C(C)(C)CCCC2(C)C)cc1.Cl
InChIInChI=1S/C18H29NO2.ClH/c1-17(2)11-6-12-18(3,4)19(17)13-14-21-16-9-7-15(20-5)8-10-16;/h7-10H,6,11-14H2,1-5H3;1H
InChIKeyPPDDXKHZOQWUDU-UHFFFAOYSA-N
XLogP4.54
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.90
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride (CID 166629214) is 1-[2-(4-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride is COc1ccc(OCCN2C(C)(C)CCCC2(C)C)cc1.Cl.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride?
The InChIKey is PPDDXKHZOQWUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2.ClH/c1-17(2)11-6-12-18(3,4)19(17)13-14-21-16-9-7-15(20-5)8-10-16;/h7-10H,6,11-14H2,1-5H3;1H.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride?
1-[2-(4-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride has a molecular weight of 327.90 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride is sourced from PubChem (CID 166629214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).