1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3-methoxyphenyl)piperazine

C20H24N2O3 — CID 23936869

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1
InChIInChI=1S/C20H24N2O3/c1-23-18-4-2-3-17(14-18)22-9-7-21(8-10-22)15-16-5-6-19-20(13-16)25-12-11-24-19/h2-6,13-14H,7-12,15H2,1H3
InChIKeyAVPAUDFVQZKYNN-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.79
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3-methoxyphenyl)piperazine

1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3-methoxyphenyl)piperazine (PubChem CID 23936869) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3-methoxyphenyl)piperazine
PubChem CID23936869
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1
InChIInChI=1S/C20H24N2O3/c1-23-18-4-2-3-17(14-18)22-9-7-21(8-10-22)15-16-5-6-19-20(13-16)25-12-11-24-19/h2-6,13-14H,7-12,15H2,1H3
InChIKeyAVPAUDFVQZKYNN-UHFFFAOYSA-N
XLogP2.79
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
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-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3-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-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3-methoxyphenyl)piperazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3-methoxyphenyl)piperazine (CID 23936869) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3-methoxyphenyl)piperazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3-methoxyphenyl)piperazine is COc1cccc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3-methoxyphenyl)piperazine?
The InChIKey is AVPAUDFVQZKYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-23-18-4-2-3-17(14-18)22-9-7-21(8-10-22)15-16-5-6-19-20(13-16)25-12-11-24-19/h2-6,13-14H,7-12,15H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3-methoxyphenyl)piperazine?
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3-methoxyphenyl)piperazine has a molecular weight of 340.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 23936869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).