2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethylphenol

C20H26N2O2 — CID 2495854

IUPAC2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethylphenol
SMILESCOc1ccccc1N1CCN(Cc2cc(C)c(C)cc2O)CC1
InChIInChI=1S/C20H26N2O2/c1-15-12-17(19(23)13-16(15)2)14-21-8-10-22(11-9-21)18-6-4-5-7-20(18)24-3/h4-7,12-13,23H,8-11,14H2,1-3H3
InChIKeyBWFJFDFSCPJWFL-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.34
Rot. Bonds4

About 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethylphenol

2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethylphenol (PubChem CID 2495854) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethylphenol.

Molecular Properties

Compound Name2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethylphenol
PubChem CID2495854
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethylphenol
SMILESCOc1ccccc1N1CCN(Cc2cc(C)c(C)cc2O)CC1
InChIInChI=1S/C20H26N2O2/c1-15-12-17(19(23)13-16(15)2)14-21-8-10-22(11-9-21)18-6-4-5-7-20(18)24-3/h4-7,12-13,23H,8-11,14H2,1-3H3
InChIKeyBWFJFDFSCPJWFL-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

Anisopirol
CID 13333
1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10385977
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
1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine
CID 10475634
19-Methoxy-5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
CID 9882594
1-(2-Methoxyphenyl)-4-[4-(3-methoxyphenyl)cyclohexyl]piperazine
CID 10091187
4-(3-(1,2-Dihydro-6-methoxynaphthalen-4-yl)-n-propyl)-1-(2-methoxyphenyl)piperazine
CID 192638
4-(3-(1,2-Dihydro-8-methoxynaphthalen-4-yl)-n-propyl)-1-(2-pyridyl)piperazine
CID 192639
1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10021562
1-(2-Methoxy-phenyl)-4-[4-(7-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-butyl]-piperazine
CID 10070045
1-(2-Methoxy-phenyl)-4-[3-(7-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10092041

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethylphenol?
The IUPAC name of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethylphenol (CID 2495854) is 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethylphenol.
What is the SMILES notation for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethylphenol?
The canonical SMILES for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethylphenol is COc1ccccc1N1CCN(Cc2cc(C)c(C)cc2O)CC1.
What is the InChIKey of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethylphenol?
The InChIKey is BWFJFDFSCPJWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-12-17(19(23)13-16(15)2)14-21-8-10-22(11-9-21)18-6-4-5-7-20(18)24-3/h4-7,12-13,23H,8-11,14H2,1-3H3.
What are the key properties of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethylphenol?
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethylphenol 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-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethylphenol is sourced from PubChem (CID 2495854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).