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

C20H26N2O2 — CID 782011

IUPAC2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CN2CCN(c3cc(C)ccc3C)CC2)c1
InChIInChI=1S/C20H26N2O2/c1-15-4-5-16(2)19(12-15)22-10-8-21(9-11-22)14-17-13-18(24-3)6-7-20(17)23/h4-7,12-13,23H,8-11,14H2,1-3H3
InChIKeyDKVXRKYPHXFNPB-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.34
Rot. Bonds4

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

2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-4-methoxyphenol (PubChem CID 782011) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-4-methoxyphenol
PubChem CID782011
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CN2CCN(c3cc(C)ccc3C)CC2)c1
InChIInChI=1S/C20H26N2O2/c1-15-4-5-16(2)19(12-15)22-10-8-21(9-11-22)14-17-13-18(24-3)6-7-20(17)23/h4-7,12-13,23H,8-11,14H2,1-3H3
InChIKeyDKVXRKYPHXFNPB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-Methoxyphenyl)diaz-1-enyl]-2-methyl-6-(piperidinomethyl)phenol
CID 2801983
2-{[(2-Fluorophenyl)amino]methyl}-4-methoxyphenol
CID 4447506
2-{[3-(2-Hydroxyethyl)-4-(2-phenylethyl)piperazin-1-yl]methyl}-4-methoxyphenol
CID 16188059
N-(2-hydroxy-5-methoxybenzyl)aniline
CID 13580474
4-[[4-(2,5-Dimethylphenyl)-1-piperazinyl]methyl]-2-methoxyphenol
CID 782696
1-[3-(2-Methoxyphenyl)-2-propen-1-yl]-4-phenylpiperazine
CID 783076
Cambridge id 5429125
CID 783341
1-(2,3-Dimethoxybenzyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1377324
2-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethylphenol
CID 2495854
2-Ethoxy-6-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methyl)phenol
CID 2845711
2-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-4-propan-2-ylphenol
CID 3578954
6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol
CID 4881824

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-4-methoxyphenol (CID 782011) is 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-4-methoxyphenol is COc1ccc(O)c(CN2CCN(c3cc(C)ccc3C)CC2)c1.
What is the InChIKey of 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-4-methoxyphenol?
The InChIKey is DKVXRKYPHXFNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-4-5-16(2)19(12-15)22-10-8-21(9-11-22)14-17-13-18(24-3)6-7-20(17)23/h4-7,12-13,23H,8-11,14H2,1-3H3.
What are the key properties of 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-4-methoxyphenol?
2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-4-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 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-4-methoxyphenol is sourced from PubChem (CID 782011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).