1-[2-[2-(2-benzyl-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride

C23H33ClN2O2 — CID 2996315

IUPAC1-[2-[2-(2-benzyl-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride
SMILESCc1ccc(OCCOCCN2CCN(C)CC2)c(Cc2ccccc2)c1.Cl
InChIInChI=1S/C23H32N2O2.ClH/c1-20-8-9-23(22(18-20)19-21-6-4-3-5-7-21)27-17-16-26-15-14-25-12-10-24(2)11-13-25;/h3-9,18H,10-17,19H2,1-2H3;1H
InChIKeyYJYCGBQAFFHJEK-UHFFFAOYSA-N
MW404.98 g/mol
LogP3.65
Rot. Bonds9

About 1-[2-[2-(2-benzyl-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride

1-[2-[2-(2-benzyl-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride (PubChem CID 2996315) has the molecular formula C23H33ClN2O2 and a molecular weight of 404.98 g/mol. Its IUPAC name is 1-[2-[2-(2-benzyl-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-[2-(2-benzyl-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride
PubChem CID2996315
Molecular FormulaC23H33ClN2O2
Molecular Weight404.98 g/mol
Exact Mass404.22
IUPAC Name1-[2-[2-(2-benzyl-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride
SMILESCc1ccc(OCCOCCN2CCN(C)CC2)c(Cc2ccccc2)c1.Cl
InChIInChI=1S/C23H32N2O2.ClH/c1-20-8-9-23(22(18-20)19-21-6-4-3-5-7-21)27-17-16-26-15-14-25-12-10-24(2)11-13-25;/h3-9,18H,10-17,19H2,1-2H3;1H
InChIKeyYJYCGBQAFFHJEK-UHFFFAOYSA-N
XLogP3.65
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.98
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(4-benzylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride
CID 2995910
1-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 44828232
[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol
CID 2996618
1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid
CID 2888787
2-(2-benzyl-4-methylphenoxy)ethanol
CID 156845812
1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
CID 2923305
1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine
CID 3870944
1-[2-(2-benzyl-4-methylphenoxy)ethyl]imidazole;hydrochloride
CID 2993981
1-benzyl-4-[2-[2-(5-methyl-2-nitrophenoxy)ethoxy]ethyl]piperazine
CID 2976731
1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2298053
1-[2-(2-benzylphenoxy)ethyl]-4-ethylpiperazine
CID 2960969
1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]-4-methylpiperazine
CID 30088160

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-benzyl-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride?
The IUPAC name of 1-[2-[2-(2-benzyl-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride (CID 2996315) is 1-[2-[2-(2-benzyl-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[2-[2-(2-benzyl-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[2-[2-(2-benzyl-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride is Cc1ccc(OCCOCCN2CCN(C)CC2)c(Cc2ccccc2)c1.Cl.
What is the InChIKey of 1-[2-[2-(2-benzyl-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride?
The InChIKey is YJYCGBQAFFHJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2.ClH/c1-20-8-9-23(22(18-20)19-21-6-4-3-5-7-21)27-17-16-26-15-14-25-12-10-24(2)11-13-25;/h3-9,18H,10-17,19H2,1-2H3;1H.
What are the key properties of 1-[2-[2-(2-benzyl-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride?
1-[2-[2-(2-benzyl-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride has a molecular weight of 404.98 g/mol, XLogP of 3.65, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-benzyl-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride is sourced from PubChem (CID 2996315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).