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

C22H30N2O3 — CID 1240306

IUPAC1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-ethoxyphenyl)piperazine
SMILESCCOc1ccccc1N1CCN(Cc2ccc(OC)c(C)c2OC)CC1
InChIInChI=1S/C22H30N2O3/c1-5-27-21-9-7-6-8-19(21)24-14-12-23(13-15-24)16-18-10-11-20(25-3)17(2)22(18)26-4/h6-11H,5,12-16H2,1-4H3
InChIKeyOJUXDRTVOTYWGY-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.73
Rot. Bonds7

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

1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-ethoxyphenyl)piperazine (PubChem CID 1240306) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-ethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-ethoxyphenyl)piperazine
PubChem CID1240306
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-ethoxyphenyl)piperazine
SMILESCCOc1ccccc1N1CCN(Cc2ccc(OC)c(C)c2OC)CC1
InChIInChI=1S/C22H30N2O3/c1-5-27-21-9-7-6-8-19(21)24-14-12-23(13-15-24)16-18-10-11-20(25-3)17(2)22(18)26-4/h6-11H,5,12-16H2,1-4H3
InChIKeyOJUXDRTVOTYWGY-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethoxyphenyl)-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine
CID 1376192
2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxy-4-methylphenol
CID 71944651
1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 9127805
1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 45215133
1-(1-benzofuran-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine
CID 11186738
1-(2-ethoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine
CID 71678171
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 1376801
1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 2846107
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 8687109
4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol
CID 754014
4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine
CID 754053
2-bromo-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxyphenol
CID 1376813

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-ethoxyphenyl)piperazine?
The IUPAC name of 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-ethoxyphenyl)piperazine (CID 1240306) is 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-ethoxyphenyl)piperazine.
What is the SMILES notation for 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-ethoxyphenyl)piperazine?
The canonical SMILES for 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-ethoxyphenyl)piperazine is CCOc1ccccc1N1CCN(Cc2ccc(OC)c(C)c2OC)CC1.
What is the InChIKey of 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-ethoxyphenyl)piperazine?
The InChIKey is OJUXDRTVOTYWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-5-27-21-9-7-6-8-19(21)24-14-12-23(13-15-24)16-18-10-11-20(25-3)17(2)22(18)26-4/h6-11H,5,12-16H2,1-4H3.
What are the key properties of 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-ethoxyphenyl)piperazine?
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-ethoxyphenyl)piperazine has a molecular weight of 370.49 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-ethoxyphenyl)piperazine is sourced from PubChem (CID 1240306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).