1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine

C22H30N2O2 — CID 8582727

IUPAC1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCOc1cc(C)c(CN2CCN(c3cccc(C)c3C)CC2)cc1OC
InChIInChI=1S/C22H30N2O2/c1-16-7-6-8-20(18(16)3)24-11-9-23(10-12-24)15-19-14-22(26-5)21(25-4)13-17(19)2/h6-8,13-14H,9-12,15H2,1-5H3
InChIKeyIBHKPPNDGRUDMD-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.95
Rot. Bonds5

About 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine

1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine (PubChem CID 8582727) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine
PubChem CID8582727
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCOc1cc(C)c(CN2CCN(c3cccc(C)c3C)CC2)cc1OC
InChIInChI=1S/C22H30N2O2/c1-16-7-6-8-20(18(16)3)24-11-9-23(10-12-24)15-19-14-22(26-5)21(25-4)13-17(19)2/h6-8,13-14H,9-12,15H2,1-5H3
InChIKeyIBHKPPNDGRUDMD-UHFFFAOYSA-N
XLogP3.95
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 8687109
1-(2,3-dimethylphenyl)-4-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]piperazine
CID 141087065
1-(2,3-dimethylphenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium
CID 6983046
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 9127833
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1375666
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 18078469
1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazine
CID 2846456
1-(2,3-dimethylphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine
CID 1377205
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
N-(3-acetylphenyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8719414
2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-4-nitrophenol
CID 782645
1-(3-chlorophenyl)sulfonyl-4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine
CID 8757905

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine?
The IUPAC name of 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine (CID 8582727) is 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine.
What is the SMILES notation for 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine?
The canonical SMILES for 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine is COc1cc(C)c(CN2CCN(c3cccc(C)c3C)CC2)cc1OC.
What is the InChIKey of 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine?
The InChIKey is IBHKPPNDGRUDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-16-7-6-8-20(18(16)3)24-11-9-23(10-12-24)15-19-14-22(26-5)21(25-4)13-17(19)2/h6-8,13-14H,9-12,15H2,1-5H3.
What are the key properties of 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine?
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine has a molecular weight of 354.49 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine is sourced from PubChem (CID 8582727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).