1-(2-methoxyphenyl)-4-[3-(2,4,6-trimethylphenoxy)propyl]piperazine;hydrochloride

C23H33ClN2O2 — CID 91937906

IUPAC1-(2-methoxyphenyl)-4-[3-(2,4,6-trimethylphenoxy)propyl]piperazine;hydrochloride
SMILESCOc1ccccc1N1CCN(CCCOc2c(C)cc(C)cc2C)CC1.Cl
InChIInChI=1S/C23H32N2O2.ClH/c1-18-16-19(2)23(20(3)17-18)27-15-7-10-24-11-13-25(14-12-24)21-8-5-6-9-22(21)26-4;/h5-6,8-9,16-17H,7,10-15H2,1-4H3;1H
InChIKeyGYTCDYBYSPYDLV-UHFFFAOYSA-N
MW404.98 g/mol
LogP4.63
Rot. Bonds7

About 1-(2-methoxyphenyl)-4-[3-(2,4,6-trimethylphenoxy)propyl]piperazine;hydrochloride

1-(2-methoxyphenyl)-4-[3-(2,4,6-trimethylphenoxy)propyl]piperazine;hydrochloride (PubChem CID 91937906) has the molecular formula C23H33ClN2O2 and a molecular weight of 404.98 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[3-(2,4,6-trimethylphenoxy)propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[3-(2,4,6-trimethylphenoxy)propyl]piperazine;hydrochloride
PubChem CID91937906
Molecular FormulaC23H33ClN2O2
Molecular Weight404.98 g/mol
Exact Mass404.22
IUPAC Name1-(2-methoxyphenyl)-4-[3-(2,4,6-trimethylphenoxy)propyl]piperazine;hydrochloride
SMILESCOc1ccccc1N1CCN(CCCOc2c(C)cc(C)cc2C)CC1.Cl
InChIInChI=1S/C23H32N2O2.ClH/c1-18-16-19(2)23(20(3)17-18)27-15-7-10-24-11-13-25(14-12-24)21-8-5-6-9-22(21)26-4;/h5-6,8-9,16-17H,7,10-15H2,1-4H3;1H
InChIKeyGYTCDYBYSPYDLV-UHFFFAOYSA-N
XLogP4.63
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.98
LogP ≤ 54.63
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[3-(2,4,6-trimethylphenoxy)propyl]piperazine;hydrochloride?
The IUPAC name of 1-(2-methoxyphenyl)-4-[3-(2,4,6-trimethylphenoxy)propyl]piperazine;hydrochloride (CID 91937906) is 1-(2-methoxyphenyl)-4-[3-(2,4,6-trimethylphenoxy)propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[3-(2,4,6-trimethylphenoxy)propyl]piperazine;hydrochloride?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[3-(2,4,6-trimethylphenoxy)propyl]piperazine;hydrochloride is COc1ccccc1N1CCN(CCCOc2c(C)cc(C)cc2C)CC1.Cl.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[3-(2,4,6-trimethylphenoxy)propyl]piperazine;hydrochloride?
The InChIKey is GYTCDYBYSPYDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2.ClH/c1-18-16-19(2)23(20(3)17-18)27-15-7-10-24-11-13-25(14-12-24)21-8-5-6-9-22(21)26-4;/h5-6,8-9,16-17H,7,10-15H2,1-4H3;1H.
What are the key properties of 1-(2-methoxyphenyl)-4-[3-(2,4,6-trimethylphenoxy)propyl]piperazine;hydrochloride?
1-(2-methoxyphenyl)-4-[3-(2,4,6-trimethylphenoxy)propyl]piperazine;hydrochloride has a molecular weight of 404.98 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[3-(2,4,6-trimethylphenoxy)propyl]piperazine;hydrochloride is sourced from PubChem (CID 91937906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).