1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine

C21H28N2O3 — CID 8687109

IUPAC1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1cc(C)c(CN2CCN(c3ccccc3OC)CC2)cc1OC
InChIInChI=1S/C21H28N2O3/c1-16-13-20(25-3)21(26-4)14-17(16)15-22-9-11-23(12-10-22)18-7-5-6-8-19(18)24-2/h5-8,13-14H,9-12,15H2,1-4H3
InChIKeySTELFDBYAXDKFA-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.34
Rot. Bonds6

About 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine

1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 8687109) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID8687109
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1cc(C)c(CN2CCN(c3ccccc3OC)CC2)cc1OC
InChIInChI=1S/C21H28N2O3/c1-16-13-20(25-3)21(26-4)14-17(16)15-22-9-11-23(12-10-22)18-7-5-6-8-19(18)24-2/h5-8,13-14H,9-12,15H2,1-4H3
InChIKeySTELFDBYAXDKFA-UHFFFAOYSA-N
XLogP3.34
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine
CID 8582727
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1375666
1-[(3-ethynylazulen-1-yl)methyl]-4-(2-methoxyphenyl)piperazine
CID 71461481
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
6-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylchromen-2-one
CID 2078040
2-[[2-[2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]phenyl]methyl]isoindole-1,3-dione
CID 139959099
2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxy-4-methylphenol
CID 71944651
1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763703
1-(2-methoxyphenyl)-4-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperazine
CID 14198545
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-ethoxyphenyl)piperazine
CID 1240306
1-[3-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)propyl]-4-(2-methoxyphenyl)piperazine
CID 21481034

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine (CID 8687109) is 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine is COc1cc(C)c(CN2CCN(c3ccccc3OC)CC2)cc1OC.
What is the InChIKey of 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is STELFDBYAXDKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-16-13-20(25-3)21(26-4)14-17(16)15-22-9-11-23(12-10-22)18-7-5-6-8-19(18)24-2/h5-8,13-14H,9-12,15H2,1-4H3.
What are the key properties of 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine?
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 356.47 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 8687109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).