1-(2-methoxyphenyl)-4-[2-(4-methylphenoxy)-2-phenylethyl]piperazine

C26H30N2O2 — CID 58057984

IUPAC1-(2-methoxyphenyl)-4-[2-(4-methylphenoxy)-2-phenylethyl]piperazine
SMILESCOc1ccccc1N1CCN(CC(Oc2ccc(C)cc2)c2ccccc2)CC1
InChIInChI=1S/C26H30N2O2/c1-21-12-14-23(15-13-21)30-26(22-8-4-3-5-9-22)20-27-16-18-28(19-17-27)24-10-6-7-11-25(24)29-2/h3-15,26H,16-20H2,1-2H3
InChIKeyGJBOELDECOSBRB-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.95
Rot. Bonds7

About 1-(2-methoxyphenyl)-4-[2-(4-methylphenoxy)-2-phenylethyl]piperazine

1-(2-methoxyphenyl)-4-[2-(4-methylphenoxy)-2-phenylethyl]piperazine (PubChem CID 58057984) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[2-(4-methylphenoxy)-2-phenylethyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[2-(4-methylphenoxy)-2-phenylethyl]piperazine
PubChem CID58057984
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name1-(2-methoxyphenyl)-4-[2-(4-methylphenoxy)-2-phenylethyl]piperazine
SMILESCOc1ccccc1N1CCN(CC(Oc2ccc(C)cc2)c2ccccc2)CC1
InChIInChI=1S/C26H30N2O2/c1-21-12-14-23(15-13-21)30-26(22-8-4-3-5-9-22)20-27-16-18-28(19-17-27)24-10-6-7-11-25(24)29-2/h3-15,26H,16-20H2,1-2H3
InChIKeyGJBOELDECOSBRB-UHFFFAOYSA-N
XLogP4.95
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine;hydrochloride
CID 11605620
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol;dihydrochloride
CID 16813381
1-(2-methoxyphenyl)-4-[3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]piperazine
CID 46068807
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid
CID 19433569
methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate
CID 19433554
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine
CID 43199804
4-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-methylphenyl)propoxy]benzoyl]amino]phenoxy]butanoic acid
CID 10439099
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 17383685
3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 18956031
(2R)-1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 70121693
1-(3,5-dimethylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 5182260
(2R)-2-fluoro-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 86339195

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[2-(4-methylphenoxy)-2-phenylethyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[2-(4-methylphenoxy)-2-phenylethyl]piperazine (CID 58057984) is 1-(2-methoxyphenyl)-4-[2-(4-methylphenoxy)-2-phenylethyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[2-(4-methylphenoxy)-2-phenylethyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[2-(4-methylphenoxy)-2-phenylethyl]piperazine is COc1ccccc1N1CCN(CC(Oc2ccc(C)cc2)c2ccccc2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[2-(4-methylphenoxy)-2-phenylethyl]piperazine?
The InChIKey is GJBOELDECOSBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-21-12-14-23(15-13-21)30-26(22-8-4-3-5-9-22)20-27-16-18-28(19-17-27)24-10-6-7-11-25(24)29-2/h3-15,26H,16-20H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[2-(4-methylphenoxy)-2-phenylethyl]piperazine?
1-(2-methoxyphenyl)-4-[2-(4-methylphenoxy)-2-phenylethyl]piperazine has a molecular weight of 402.54 g/mol, XLogP of 4.95, 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-[2-(4-methylphenoxy)-2-phenylethyl]piperazine is sourced from PubChem (CID 58057984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).