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

C22H30N2O3 — CID 1126216

IUPAC1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(Cc3ccccc3C)CC2)c(OC)c1OC
InChIInChI=1S/C22H30N2O3/c1-17-7-5-6-8-18(17)15-23-11-13-24(14-12-23)16-19-9-10-20(25-2)22(27-4)21(19)26-3/h5-10H,11-16H2,1-4H3
InChIKeyNPKJHKVTKDUNDK-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.34
Rot. Bonds7

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

1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (PubChem CID 1126216) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
PubChem CID1126216
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(Cc3ccccc3C)CC2)c(OC)c1OC
InChIInChI=1S/C22H30N2O3/c1-17-7-5-6-8-18(17)15-23-11-13-24(14-12-23)16-19-9-10-20(25-2)22(27-4)21(19)26-3/h5-10H,11-16H2,1-4H3
InChIKeyNPKJHKVTKDUNDK-UHFFFAOYSA-N
XLogP3.34
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
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-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 9127833
1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 17366969
1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 9127805
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 51073742
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
N-(diaminomethylidene)-2-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]benzamide
CID 54580484
1-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 771936
phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148101
1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 791258
1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride
CID 3049530
1-[(2S)-butan-2-yl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 787037

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (CID 1126216) is 1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(Cc3ccccc3C)CC2)c(OC)c1OC.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The InChIKey is NPKJHKVTKDUNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-17-7-5-6-8-18(17)15-23-11-13-24(14-12-23)16-19-9-10-20(25-2)22(27-4)21(19)26-3/h5-10H,11-16H2,1-4H3.
What are the key properties of 1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine has a molecular weight of 370.49 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 1126216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).