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

C22H28N2O4 — CID 165425066

IUPAC1-[[3-(1,3-benzodioxol-5-yl)-4-methoxyphenyl]methyl]-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(Cc2ccc(OC)c(-c3ccc4c(c3)OCO4)c2)CC1
InChIInChI=1S/C22H28N2O4/c1-25-12-11-23-7-9-24(10-8-23)15-17-3-5-20(26-2)19(13-17)18-4-6-21-22(14-18)28-16-27-21/h3-6,13-14H,7-12,15-16H2,1-2H3
InChIKeyYLRWFSCBHXMIPY-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.85
Rot. Bonds7

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

1-[[3-(1,3-benzodioxol-5-yl)-4-methoxyphenyl]methyl]-4-(2-methoxyethyl)piperazine (PubChem CID 165425066) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[[3-(1,3-benzodioxol-5-yl)-4-methoxyphenyl]methyl]-4-(2-methoxyethyl)piperazine.

Molecular Properties

Compound Name1-[[3-(1,3-benzodioxol-5-yl)-4-methoxyphenyl]methyl]-4-(2-methoxyethyl)piperazine
PubChem CID165425066
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-[[3-(1,3-benzodioxol-5-yl)-4-methoxyphenyl]methyl]-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(Cc2ccc(OC)c(-c3ccc4c(c3)OCO4)c2)CC1
InChIInChI=1S/C22H28N2O4/c1-25-12-11-23-7-9-24(10-8-23)15-17-3-5-20(26-2)19(13-17)18-4-6-21-22(14-18)28-16-27-21/h3-6,13-14H,7-12,15-16H2,1-2H3
InChIKeyYLRWFSCBHXMIPY-UHFFFAOYSA-N
XLogP2.85
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-benzodioxol-5-yl)-4-methoxybenzoic acid
CID 82039175
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 8720971
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine
CID 1088784
N-[[4-methoxy-3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 11273130
4-(1,3-benzodioxol-5-ylmethyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 108866282
4-(1,3-benzodioxol-5-ylmethyl)-N-(3-methoxypropyl)piperazine-1-carbothioamide
CID 3192010
1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine
CID 130380752
6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one
CID 69202913
(1S)-1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 56683488
1-(1,3-benzodioxol-5-ylmethyl)azepane
CID 765340
1-(1,3-benzodioxol-5-ylmethyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride
CID 171668249
4-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide
CID 2957736

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1,3-benzodioxol-5-yl)-4-methoxyphenyl]methyl]-4-(2-methoxyethyl)piperazine?
The IUPAC name of 1-[[3-(1,3-benzodioxol-5-yl)-4-methoxyphenyl]methyl]-4-(2-methoxyethyl)piperazine (CID 165425066) is 1-[[3-(1,3-benzodioxol-5-yl)-4-methoxyphenyl]methyl]-4-(2-methoxyethyl)piperazine.
What is the SMILES notation for 1-[[3-(1,3-benzodioxol-5-yl)-4-methoxyphenyl]methyl]-4-(2-methoxyethyl)piperazine?
The canonical SMILES for 1-[[3-(1,3-benzodioxol-5-yl)-4-methoxyphenyl]methyl]-4-(2-methoxyethyl)piperazine is COCCN1CCN(Cc2ccc(OC)c(-c3ccc4c(c3)OCO4)c2)CC1.
What is the InChIKey of 1-[[3-(1,3-benzodioxol-5-yl)-4-methoxyphenyl]methyl]-4-(2-methoxyethyl)piperazine?
The InChIKey is YLRWFSCBHXMIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-25-12-11-23-7-9-24(10-8-23)15-17-3-5-20(26-2)19(13-17)18-4-6-21-22(14-18)28-16-27-21/h3-6,13-14H,7-12,15-16H2,1-2H3.
What are the key properties of 1-[[3-(1,3-benzodioxol-5-yl)-4-methoxyphenyl]methyl]-4-(2-methoxyethyl)piperazine?
1-[[3-(1,3-benzodioxol-5-yl)-4-methoxyphenyl]methyl]-4-(2-methoxyethyl)piperazine has a molecular weight of 384.48 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1,3-benzodioxol-5-yl)-4-methoxyphenyl]methyl]-4-(2-methoxyethyl)piperazine is sourced from PubChem (CID 165425066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).