1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride

C22H30Cl2N2O3 — CID 91937910

IUPAC1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride
SMILESCOc1ccccc1N1CCN(CCOCCOc2c(C)cccc2Cl)CC1.Cl
InChIInChI=1S/C22H29ClN2O3.ClH/c1-18-6-5-7-19(23)22(18)28-17-16-27-15-14-24-10-12-25(13-11-24)20-8-3-4-9-21(20)26-2;/h3-9H,10-17H2,1-2H3;1H
InChIKeyUOUKYGLHGFXZCI-UHFFFAOYSA-N
MW441.40 g/mol
LogP4.30
Rot. Bonds9

About 1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride

1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride (PubChem CID 91937910) has the molecular formula C22H30Cl2N2O3 and a molecular weight of 441.40 g/mol. Its IUPAC name is 1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride
PubChem CID91937910
Molecular FormulaC22H30Cl2N2O3
Molecular Weight441.40 g/mol
Exact Mass440.16
IUPAC Name1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride
SMILESCOc1ccccc1N1CCN(CCOCCOc2c(C)cccc2Cl)CC1.Cl
InChIInChI=1S/C22H29ClN2O3.ClH/c1-18-6-5-7-19(23)22(18)28-17-16-27-15-14-24-10-12-25(13-11-24)20-8-3-4-9-21(20)26-2;/h3-9H,10-17H2,1-2H3;1H
InChIKeyUOUKYGLHGFXZCI-UHFFFAOYSA-N
XLogP4.30
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.40
LogP ≤ 54.30
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride?
The IUPAC name of 1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride (CID 91937910) is 1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride is COc1ccccc1N1CCN(CCOCCOc2c(C)cccc2Cl)CC1.Cl.
What is the InChIKey of 1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride?
The InChIKey is UOUKYGLHGFXZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O3.ClH/c1-18-6-5-7-19(23)22(18)28-17-16-27-15-14-24-10-12-25(13-11-24)20-8-3-4-9-21(20)26-2;/h3-9H,10-17H2,1-2H3;1H.
What are the key properties of 1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride?
1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride has a molecular weight of 441.40 g/mol, XLogP of 4.30, 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-chloro-6-methylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride is sourced from PubChem (CID 91937910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).