1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride

C23H34Cl2N2O3 — CID 134154490

IUPAC1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride
SMILESCOc1ccccc1N1CCN(CCOCCOc2cccc(C)c2C)CC1.Cl.Cl
InChIInChI=1S/C23H32N2O3.2ClH/c1-19-7-6-10-22(20(19)2)28-18-17-27-16-15-24-11-13-25(14-12-24)21-8-4-5-9-23(21)26-3;;/h4-10H,11-18H2,1-3H3;2*1H
InChIKeyZRDZJBHIGBDKAF-UHFFFAOYSA-N
MW457.44 g/mol
LogP4.37
Rot. Bonds9

About 1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride

1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride (PubChem CID 134154490) has the molecular formula C23H34Cl2N2O3 and a molecular weight of 457.44 g/mol. Its IUPAC name is 1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride
PubChem CID134154490
Molecular FormulaC23H34Cl2N2O3
Molecular Weight457.44 g/mol
Exact Mass456.19
IUPAC Name1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride
SMILESCOc1ccccc1N1CCN(CCOCCOc2cccc(C)c2C)CC1.Cl.Cl
InChIInChI=1S/C23H32N2O3.2ClH/c1-19-7-6-10-22(20(19)2)28-18-17-27-16-15-24-11-13-25(14-12-24)21-8-4-5-9-23(21)26-3;;/h4-10H,11-18H2,1-3H3;2*1H
InChIKeyZRDZJBHIGBDKAF-UHFFFAOYSA-N
XLogP4.37
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine
CID 134154491
2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]ethanol
CID 61071831
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]ethyl]benzimidazole
CID 139918381
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol;hydrochloride
CID 20846521
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine
CID 139749924
N'-(2,3-dimethylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389708
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-[2-[2-[2-[2-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzamide
CID 56837636
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid
CID 2888787

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride?
The IUPAC name of 1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride (CID 134154490) is 1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride?
The canonical SMILES for 1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride is COc1ccccc1N1CCN(CCOCCOc2cccc(C)c2C)CC1.Cl.Cl.
What is the InChIKey of 1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride?
The InChIKey is ZRDZJBHIGBDKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3.2ClH/c1-19-7-6-10-22(20(19)2)28-18-17-27-16-15-24-11-13-25(14-12-24)21-8-4-5-9-23(21)26-3;;/h4-10H,11-18H2,1-3H3;2*1H.
What are the key properties of 1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride?
1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride has a molecular weight of 457.44 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride is sourced from PubChem (CID 134154490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).