1-ethyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine

C15H22N2O3 — CID 779684

IUPAC1-ethyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine
SMILESCCN1CCN(Cc2cc(OC)c3c(c2)OCO3)CC1
InChIInChI=1S/C15H22N2O3/c1-3-16-4-6-17(7-5-16)10-12-8-13(18-2)15-14(9-12)19-11-20-15/h8-9H,3-7,10-11H2,1-2H3
InChIKeyLJBJRSATTGTZHF-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.56
Rot. Bonds4

About 1-ethyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine

1-ethyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine (PubChem CID 779684) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-ethyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine
PubChem CID779684
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-ethyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine
SMILESCCN1CCN(Cc2cc(OC)c3c(c2)OCO3)CC1
InChIInChI=1S/C15H22N2O3/c1-3-16-4-6-17(7-5-16)10-12-8-13(18-2)15-14(9-12)19-11-20-15/h8-9H,3-7,10-11H2,1-2H3
InChIKeyLJBJRSATTGTZHF-UHFFFAOYSA-N
XLogP1.56
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine?
The IUPAC name of 1-ethyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine (CID 779684) is 1-ethyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine is CCN1CCN(Cc2cc(OC)c3c(c2)OCO3)CC1.
What is the InChIKey of 1-ethyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine?
The InChIKey is LJBJRSATTGTZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-16-4-6-17(7-5-16)10-12-8-13(18-2)15-14(9-12)19-11-20-15/h8-9H,3-7,10-11H2,1-2H3.
What are the key properties of 1-ethyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine?
1-ethyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine has a molecular weight of 278.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine is sourced from PubChem (CID 779684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).