4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol

C21H28N2O3 — CID 1377033

IUPAC4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CN2CCN(c3cccc(C)c3C)CC2)cc(OC)c1O
InChIInChI=1S/C21H28N2O3/c1-15-6-5-7-18(16(15)2)23-10-8-22(9-11-23)14-17-12-19(25-3)21(24)20(13-17)26-4/h5-7,12-13,24H,8-11,14H2,1-4H3
InChIKeyFMKSCNHGTVSCMD-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.35
Rot. Bonds5

About 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol

4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol (PubChem CID 1377033) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
PubChem CID1377033
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CN2CCN(c3cccc(C)c3C)CC2)cc(OC)c1O
InChIInChI=1S/C21H28N2O3/c1-15-6-5-7-18(16(15)2)23-10-8-22(9-11-23)14-17-12-19(25-3)21(24)20(13-17)26-4/h5-7,12-13,24H,8-11,14H2,1-4H3
InChIKeyFMKSCNHGTVSCMD-UHFFFAOYSA-N
XLogP3.35
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Bromo-4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-6-methoxyphenol
CID 1069645
3,4-dimethyl-N-(3,4,5-trimethoxybenzyl)aniline
CID 3858898
Piperazine, 1-(2-methylphenyl)-4-((3,4,5-trimethoxyphenyl)methyl)-
CID 1377353
5-{[4-(2-Fluorophenyl)-1-piperazinyl]methyl}-2-methoxyphenol
CID 763644
1-[(3,4-Dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine
CID 764138
(2,5-Dimethylphenyl)(3,4,5-trimethoxybenzyl)amine
CID 772849
4-[[4-(2,5-Dimethylphenyl)-1-piperazinyl]methyl]-2-methoxyphenol
CID 782696
4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2,6-dimethoxyphenol
CID 783893
2-Ethoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol
CID 1067897
1-(4-Fluorophenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 1376934
3,5-Dimethoxy-2-[3-(4-phenylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propyl]phenol
CID 16746472
4-{[3-(2-Hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol
CID 23723517

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol (CID 1377033) is 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol is COc1cc(CN2CCN(c3cccc(C)c3C)CC2)cc(OC)c1O.
What is the InChIKey of 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
The InChIKey is FMKSCNHGTVSCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-15-6-5-7-18(16(15)2)23-10-8-22(9-11-23)14-17-12-19(25-3)21(24)20(13-17)26-4/h5-7,12-13,24H,8-11,14H2,1-4H3.
What are the key properties of 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol has a molecular weight of 356.47 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 1377033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).