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

C22H26N2O4 — CID 137450994

IUPAC1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine
SMILESc1cc2c(cc1CCN1CCN(CCc3ccc4c(c3)OCO4)CC1)OCO2
InChIInChI=1S/C22H26N2O4/c1-3-19-21(27-15-25-19)13-17(1)5-7-23-9-11-24(12-10-23)8-6-18-2-4-20-22(14-18)28-16-26-20/h1-4,13-14H,5-12,15-16H2
InChIKeyYWOBLFHLBPKRMP-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.55
Rot. Bonds6

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

1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine (PubChem CID 137450994) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine.

Molecular Properties

Compound Name1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine
PubChem CID137450994
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine
SMILESc1cc2c(cc1CCN1CCN(CCc3ccc4c(c3)OCO4)CC1)OCO2
InChIInChI=1S/C22H26N2O4/c1-3-19-21(27-15-25-19)13-17(1)5-7-23-9-11-24(12-10-23)8-6-18-2-4-20-22(14-18)28-16-26-20/h1-4,13-14H,5-12,15-16H2
InChIKeyYWOBLFHLBPKRMP-UHFFFAOYSA-N
XLogP2.55
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Related Compounds

1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
CID 12816916
1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-ol
CID 82480573
1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-phenoxyethyl)piperazine
CID 24738725
1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-fluorophenyl)piperazine;hydrochloride
CID 53329789
1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-phenoxyethyl)piperazine;dihydrochloride
CID 66996145
3-[2-(1,3-benzodioxol-5-yl)ethyl]-8-methyl-3-azabicyclo[3.2.1]octane
CID 68972233
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine
CID 118724005
1-[3-(1,3-benzodioxol-5-yl)propyl]-4-(4-chlorophenyl)piperazine
CID 69440754
1-[4-(1,3-benzodioxol-5-yl)butyl]-4-(4-chlorophenyl)piperazine
CID 69443078
5-(2-chloroethyl)-1,3-benzodioxole
CID 15815969
1-[2-(1,3-benzodioxol-5-yl)ethyl]pyrrole-2-carbaldehyde
CID 83649262
1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine
CID 130380752

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine?
The IUPAC name of 1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine (CID 137450994) is 1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine.
What is the SMILES notation for 1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine?
The canonical SMILES for 1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine is c1cc2c(cc1CCN1CCN(CCc3ccc4c(c3)OCO4)CC1)OCO2.
What is the InChIKey of 1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine?
The InChIKey is YWOBLFHLBPKRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-3-19-21(27-15-25-19)13-17(1)5-7-23-9-11-24(12-10-23)8-6-18-2-4-20-22(14-18)28-16-26-20/h1-4,13-14H,5-12,15-16H2.
What are the key properties of 1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine?
1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine has a molecular weight of 382.46 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine is sourced from PubChem (CID 137450994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).