1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine

C20H24N2O3 — CID 11638677

IUPAC1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C20H24N2O3/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19/h2-7,14H,8-13,15H2,1H3
InChIKeyZFLJBXISNFUYBH-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.79
Rot. Bonds5

About 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine

1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 11638677) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine
PubChem CID11638677
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C20H24N2O3/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19/h2-7,14H,8-13,15H2,1H3
InChIKeyZFLJBXISNFUYBH-UHFFFAOYSA-N
XLogP2.79
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine (CID 11638677) is 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is ZFLJBXISNFUYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19/h2-7,14H,8-13,15H2,1H3.
What are the key properties of 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine?
1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 340.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 11638677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).