4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-2-methoxyphenol

C20H26N2O2 — CID 782696

IUPAC4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-2-methoxyphenol
SMILESCOc1cc(CN2CCN(c3cc(C)ccc3C)CC2)ccc1O
InChIInChI=1S/C20H26N2O2/c1-15-4-5-16(2)18(12-15)22-10-8-21(9-11-22)14-17-6-7-19(23)20(13-17)24-3/h4-7,12-13,23H,8-11,14H2,1-3H3
InChIKeyYTCCDDUVWURUKP-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.34
Rot. Bonds4

About 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-2-methoxyphenol

4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-2-methoxyphenol (PubChem CID 782696) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-2-methoxyphenol
PubChem CID782696
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-2-methoxyphenol
SMILESCOc1cc(CN2CCN(c3cc(C)ccc3C)CC2)ccc1O
InChIInChI=1S/C20H26N2O2/c1-15-4-5-16(2)18(12-15)22-10-8-21(9-11-22)14-17-6-7-19(23)20(13-17)24-3/h4-7,12-13,23H,8-11,14H2,1-3H3
InChIKeyYTCCDDUVWURUKP-UHFFFAOYSA-N
XLogP3.34
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Ethoxy-4-methoxybenzyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1067896
1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-methylphenyl)piperazine
CID 791168
2-Bromo-4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-6-methoxyphenol
CID 1069645
1-((2H-1,3-Benzodioxol-5-yl)methyl)-4-phenylpiperazine
CID 765879
Piperazine, 1-(2-methylphenyl)-4-((3,4,5-trimethoxyphenyl)methyl)-
CID 1377353
5-(1,3-Diphenylimidazolidin-2-yl)-2-methoxyphenol
CID 749779
5-{[4-(2-Fluorophenyl)-1-piperazinyl]methyl}-2-methoxyphenol
CID 763644
1-[(3,4-Dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine
CID 764138
Cambridge id 5411429
CID 782011
2-Ethoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol
CID 1067897
4-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]methyl}-2-methoxy-6-nitrophenol
CID 1376832
4-[[4-(2,3-Dimethylphenyl)-1-piperazinyl]methyl]-2,6-dimethoxyphenol
CID 1377033

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-2-methoxyphenol (CID 782696) is 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-2-methoxyphenol is COc1cc(CN2CCN(c3cc(C)ccc3C)CC2)ccc1O.
What is the InChIKey of 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-2-methoxyphenol?
The InChIKey is YTCCDDUVWURUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-4-5-16(2)18(12-15)22-10-8-21(9-11-22)14-17-6-7-19(23)20(13-17)24-3/h4-7,12-13,23H,8-11,14H2,1-3H3.
What are the key properties of 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-2-methoxyphenol?
4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-2-methoxyphenol has a molecular weight of 326.44 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-2-methoxyphenol is sourced from PubChem (CID 782696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).