4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol;hydrochloride

C23H33ClN2O3 — CID 20846521

IUPAC4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol;hydrochloride
SMILESCOc1ccccc1N1CCN(CCOc2cc(C)c(O)cc2C(C)C)CC1.Cl
InChIInChI=1S/C23H32N2O3.ClH/c1-17(2)19-16-21(26)18(3)15-23(19)28-14-13-24-9-11-25(12-10-24)20-7-5-6-8-22(20)27-4;/h5-8,15-17,26H,9-14H2,1-4H3;1H
InChIKeyDJGWQBWTROXHTL-UHFFFAOYSA-N
MW420.98 g/mol
LogP4.46
Rot. Bonds7

About 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol;hydrochloride

4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol;hydrochloride (PubChem CID 20846521) has the molecular formula C23H33ClN2O3 and a molecular weight of 420.98 g/mol. Its IUPAC name is 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol;hydrochloride.

Molecular Properties

Compound Name4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol;hydrochloride
PubChem CID20846521
Molecular FormulaC23H33ClN2O3
Molecular Weight420.98 g/mol
Exact Mass420.22
IUPAC Name4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol;hydrochloride
SMILESCOc1ccccc1N1CCN(CCOc2cc(C)c(O)cc2C(C)C)CC1.Cl
InChIInChI=1S/C23H32N2O3.ClH/c1-17(2)19-16-21(26)18(3)15-23(19)28-14-13-24-9-11-25(12-10-24)20-7-5-6-8-22(20)27-4;/h5-8,15-17,26H,9-14H2,1-4H3;1H
InChIKeyDJGWQBWTROXHTL-UHFFFAOYSA-N
XLogP4.46
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.98
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride
CID 134154490
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine
CID 134154491
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 8687109
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol
CID 30930100
1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-phenylpiperazine
CID 67917207
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2H-benzotriazole
CID 11233507
1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-2-ol
CID 3947171
1-(2-methoxyphenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine
CID 25156130
propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 110186525
1-(2-methoxyphenyl)-4-[4-(5-methyl-2-propan-2-ylphenoxy)but-2-ynyl]piperazine;oxalic acid
CID 2961431

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol;hydrochloride?
The IUPAC name of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol;hydrochloride (CID 20846521) is 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol;hydrochloride.
What is the SMILES notation for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol;hydrochloride?
The canonical SMILES for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol;hydrochloride is COc1ccccc1N1CCN(CCOc2cc(C)c(O)cc2C(C)C)CC1.Cl.
What is the InChIKey of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol;hydrochloride?
The InChIKey is DJGWQBWTROXHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3.ClH/c1-17(2)19-16-21(26)18(3)15-23(19)28-14-13-24-9-11-25(12-10-24)20-7-5-6-8-22(20)27-4;/h5-8,15-17,26H,9-14H2,1-4H3;1H.
What are the key properties of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol;hydrochloride?
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol;hydrochloride has a molecular weight of 420.98 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol;hydrochloride is sourced from PubChem (CID 20846521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).