1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methoxyphenyl)piperazine

C19H22N2O3 — CID 4992251

IUPAC1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(Cc3cccc4c3OCO4)CC2)c1
InChIInChI=1S/C19H22N2O3/c1-22-17-6-3-5-16(12-17)21-10-8-20(9-11-21)13-15-4-2-7-18-19(15)24-14-23-18/h2-7,12H,8-11,13-14H2,1H3
InChIKeyMDQKHJLUZPENBW-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.75
Rot. Bonds4

About 1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methoxyphenyl)piperazine

1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methoxyphenyl)piperazine (PubChem CID 4992251) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methoxyphenyl)piperazine
PubChem CID4992251
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(Cc3cccc4c3OCO4)CC2)c1
InChIInChI=1S/C19H22N2O3/c1-22-17-6-3-5-16(12-17)21-10-8-20(9-11-21)13-15-4-2-7-18-19(15)24-14-23-18/h2-7,12H,8-11,13-14H2,1H3
InChIKeyMDQKHJLUZPENBW-UHFFFAOYSA-N
XLogP2.75
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzodioxol-4-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

Related Compounds

1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methylphenyl)piperazine
CID 3495000
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 30723452
1-(3-methoxyphenyl)-4-[(2-nitrophenyl)methyl]piperazine
CID 782035
4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3H-1,3-benzoxazol-2-one
CID 162212278
1-[(4-bromothiophen-2-yl)methyl]-4-(3-methoxyphenyl)piperazine
CID 1375734
1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
CID 10243741
2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 56819748
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592483
5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 8592317
1-[(2-methoxy-5-nitrophenyl)methyl]-4-(3-methoxyphenyl)piperazine
CID 38124721

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methoxyphenyl)piperazine?
The IUPAC name of 1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methoxyphenyl)piperazine (CID 4992251) is 1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methoxyphenyl)piperazine?
The canonical SMILES for 1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methoxyphenyl)piperazine is COc1cccc(N2CCN(Cc3cccc4c3OCO4)CC2)c1.
What is the InChIKey of 1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methoxyphenyl)piperazine?
The InChIKey is MDQKHJLUZPENBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-22-17-6-3-5-16(12-17)21-10-8-20(9-11-21)13-15-4-2-7-18-19(15)24-14-23-18/h2-7,12H,8-11,13-14H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methoxyphenyl)piperazine?
1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methoxyphenyl)piperazine has a molecular weight of 326.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 4992251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).