1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-methoxyphenyl)piperazine

C20H24N2O4 — CID 1379190

IUPAC1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cc(OC)c3c(c2)OCO3)CC1
InChIInChI=1S/C20H24N2O4/c1-23-17-6-4-3-5-16(17)22-9-7-21(8-10-22)13-15-11-18(24-2)20-19(12-15)25-14-26-20/h3-6,11-12H,7-10,13-14H2,1-2H3
InChIKeyIBYJAEVAXQKZNT-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.75
Rot. Bonds5

About 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-methoxyphenyl)piperazine

1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 1379190) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID1379190
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cc(OC)c3c(c2)OCO3)CC1
InChIInChI=1S/C20H24N2O4/c1-23-17-6-4-3-5-16(17)22-9-7-21(8-10-22)13-15-11-18(24-2)20-19(12-15)25-14-26-20/h3-6,11-12H,7-10,13-14H2,1-2H3
InChIKeyIBYJAEVAXQKZNT-UHFFFAOYSA-N
XLogP2.75
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-methoxyphenyl)piperazine (CID 1379190) is 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(Cc2cc(OC)c3c(c2)OCO3)CC1.
What is the InChIKey of 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is IBYJAEVAXQKZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-23-17-6-4-3-5-16(17)22-9-7-21(8-10-22)13-15-11-18(24-2)20-19(12-15)25-14-26-20/h3-6,11-12H,7-10,13-14H2,1-2H3.
What are the key properties of 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-methoxyphenyl)piperazine?
1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 356.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 1379190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).