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

C23H32N2O4 — CID 9127805

IUPAC1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCCOc1ccccc1CN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1
InChIInChI=1S/C23H32N2O4/c1-5-29-20-9-7-6-8-18(20)16-24-12-14-25(15-13-24)17-19-10-11-21(26-2)23(28-4)22(19)27-3/h6-11H,5,12-17H2,1-4H3
InChIKeyHADAWDBBAUGQNL-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.43
Rot. Bonds9

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

1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (PubChem CID 9127805) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
PubChem CID9127805
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCCOc1ccccc1CN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1
InChIInChI=1S/C23H32N2O4/c1-5-29-20-9-7-6-8-18(20)16-24-12-14-25(15-13-24)17-19-10-11-21(26-2)23(28-4)22(19)27-3/h6-11H,5,12-17H2,1-4H3
InChIKeyHADAWDBBAUGQNL-UHFFFAOYSA-N
XLogP3.43
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1126216
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-ethoxyphenyl)piperazine
CID 1240306
1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 51073742
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
1-[2-(2-chlorophenoxy)ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 2948911
1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 9127804
1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 791258
1-[(2S)-butan-2-yl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 787037
2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45190546
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148359
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 9127833

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (CID 9127805) is 1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is CCOc1ccccc1CN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1.
What is the InChIKey of 1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The InChIKey is HADAWDBBAUGQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-5-29-20-9-7-6-8-18(20)16-24-12-14-25(15-13-24)17-19-10-11-21(26-2)23(28-4)22(19)27-3/h6-11H,5,12-17H2,1-4H3.
What are the key properties of 1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine has a molecular weight of 400.52 g/mol, XLogP of 3.43, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 9127805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).