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

C21H28N2O3 — CID 1377353

IUPAC1-(2-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(CN2CCN(c3ccccc3C)CC2)cc(OC)c1OC
InChIInChI=1S/C21H28N2O3/c1-16-7-5-6-8-18(16)23-11-9-22(10-12-23)15-17-13-19(24-2)21(26-4)20(14-17)25-3/h5-8,13-14H,9-12,15H2,1-4H3
InChIKeyMWNCHGVMCXDYED-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.34
Rot. Bonds6

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

1-(2-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine (PubChem CID 1377353) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
PubChem CID1377353
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-(2-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(CN2CCN(c3ccccc3C)CC2)cc(OC)c1OC
InChIInChI=1S/C21H28N2O3/c1-16-7-5-6-8-18(16)23-11-9-22(10-12-23)15-17-13-19(24-2)21(26-4)20(14-17)25-3/h5-8,13-14H,9-12,15H2,1-4H3
InChIKeyMWNCHGVMCXDYED-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(2-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine (CID 1377353) is 1-(2-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(2-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine is COc1cc(CN2CCN(c3ccccc3C)CC2)cc(OC)c1OC.
What is the InChIKey of 1-(2-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The InChIKey is MWNCHGVMCXDYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-16-7-5-6-8-18(16)23-11-9-22(10-12-23)15-17-13-19(24-2)21(26-4)20(14-17)25-3/h5-8,13-14H,9-12,15H2,1-4H3.
What are the key properties of 1-(2-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
1-(2-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]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-(2-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 1377353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).