1-[(2,3-dimethoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazine

C21H28N2O3 — CID 1377098

IUPAC1-[(2,3-dimethoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazine
SMILESCCOc1ccccc1N1CCN(Cc2cccc(OC)c2OC)CC1
InChIInChI=1S/C21H28N2O3/c1-4-26-19-10-6-5-9-18(19)23-14-12-22(13-15-23)16-17-8-7-11-20(24-2)21(17)25-3/h5-11H,4,12-16H2,1-3H3
InChIKeyVSBTYOLMXRIGMY-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.42
Rot. Bonds7

About 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazine

1-[(2,3-dimethoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazine (PubChem CID 1377098) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazine
PubChem CID1377098
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-[(2,3-dimethoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazine
SMILESCCOc1ccccc1N1CCN(Cc2cccc(OC)c2OC)CC1
InChIInChI=1S/C21H28N2O3/c1-4-26-19-10-6-5-9-18(19)23-14-12-22(13-15-23)16-17-8-7-11-20(24-2)21(17)25-3/h5-11H,4,12-16H2,1-3H3
InChIKeyVSBTYOLMXRIGMY-UHFFFAOYSA-N
XLogP3.42
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Naftopidil
CID 4418
Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(o-ethoxyphenyl)-
CID 121102
Naftopidil Dihydrochloride
CID 11957660
1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10385977
Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-
CID 3826471
1-((2,6-Dimethylphenoxy)propyl)-4-(2-methoxyphenyl)piperazine hydrochloride
CID 54598062
1-[(2,4,6-Trimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine hydrochloride (4)
CID 91937906
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-fluoro-N-(2-phenoxyphenyl)acetamide
CID 68334393
1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine
CID 10475634
1-(2-Methoxyphenyl)-4-[4-(3-methoxyphenyl)cyclohexyl]piperazine
CID 10091187
4-(Benzodioxan-5-yl)-1-[2-(ind-1-en-1-yl)-ethyl]-piperazine
CID 10451312

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazine?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazine (CID 1377098) is 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazine.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazine?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazine is CCOc1ccccc1N1CCN(Cc2cccc(OC)c2OC)CC1.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazine?
The InChIKey is VSBTYOLMXRIGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-26-19-10-6-5-9-18(19)23-14-12-22(13-15-23)16-17-8-7-11-20(24-2)21(17)25-3/h5-11H,4,12-16H2,1-3H3.
What are the key properties of 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazine?
1-[(2,3-dimethoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazine has a molecular weight of 356.47 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazine is sourced from PubChem (CID 1377098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).