1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine

C21H28N2O2 — CID 764138

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCOc1ccc(CN2CCN(c3cccc(C)c3C)CC2)cc1OC
InChIInChI=1S/C21H28N2O2/c1-16-6-5-7-19(17(16)2)23-12-10-22(11-13-23)15-18-8-9-20(24-3)21(14-18)25-4/h5-9,14H,10-13,15H2,1-4H3
InChIKeyBAHKIASSFRAQOP-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.64
Rot. Bonds5

About 1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine

1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine (PubChem CID 764138) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine
PubChem CID764138
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCOc1ccc(CN2CCN(c3cccc(C)c3C)CC2)cc1OC
InChIInChI=1S/C21H28N2O2/c1-16-6-5-7-19(17(16)2)23-12-10-22(11-13-23)15-18-8-9-20(24-3)21(14-18)25-4/h5-9,14H,10-13,15H2,1-4H3
InChIKeyBAHKIASSFRAQOP-UHFFFAOYSA-N
XLogP3.64
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dihydro-1,2-dimethoxy-6-methyl-4H-dibenzo(de,g)quinoline
CID 821347
Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(o-ethoxyphenyl)-
CID 121102
4-Ethyl-5-methyl-5,6-dihydro-[1,3]dioxolo[4,5-j]phenanthridine
CID 44422459
3,4-Dimethoxy-N-(4-methoxyphenyl)benzylamine
CID 784220
2-((2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)amino)-N-(4-fluorophenyl)acetamide (34a)
CID 86766181
2-((2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl) amino)-N-(4-fluorophenyl)acetamide (35a)
CID 86766188
1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10021562
1-[3-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-(3-trifluoromethyl-phenyl)-piperazine
CID 10025711
1-[3-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10406366
Assoanine
CID 443725
Mefeclorazine
CID 3064105
2-((2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl) amino)-N-phenylacetamide (HWL-892)
CID 86766187

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine (CID 764138) is 1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine is COc1ccc(CN2CCN(c3cccc(C)c3C)CC2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine?
The InChIKey is BAHKIASSFRAQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16-6-5-7-19(17(16)2)23-12-10-22(11-13-23)15-18-8-9-20(24-3)21(14-18)25-4/h5-9,14H,10-13,15H2,1-4H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine?
1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine has a molecular weight of 340.47 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine is sourced from PubChem (CID 764138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).