2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-4-propan-2-ylphenol

C22H30N2O2 — CID 3578954

IUPAC2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-4-propan-2-ylphenol
SMILESCOc1ccccc1N1CCN(Cc2cc(C(C)C)c(C)cc2O)CC1
InChIInChI=1S/C22H30N2O2/c1-16(2)19-14-18(21(25)13-17(19)3)15-23-9-11-24(12-10-23)20-7-5-6-8-22(20)26-4/h5-8,13-14,16,25H,9-12,15H2,1-4H3
InChIKeySERIGAIAXJBLLY-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.15
Rot. Bonds5

About 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-4-propan-2-ylphenol

2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-4-propan-2-ylphenol (PubChem CID 3578954) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-4-propan-2-ylphenol
PubChem CID3578954
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-4-propan-2-ylphenol
SMILESCOc1ccccc1N1CCN(Cc2cc(C(C)C)c(C)cc2O)CC1
InChIInChI=1S/C22H30N2O2/c1-16(2)19-14-18(21(25)13-17(19)3)15-23-9-11-24(12-10-23)20-7-5-6-8-22(20)26-4/h5-8,13-14,16,25H,9-12,15H2,1-4H3
InChIKeySERIGAIAXJBLLY-UHFFFAOYSA-N
XLogP4.15
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.15
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

1-(2-Methoxy-phenyl)-4-[3-(1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10067369
1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10361439
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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-4-propan-2-ylphenol?
The IUPAC name of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-4-propan-2-ylphenol (CID 3578954) is 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-4-propan-2-ylphenol.
What is the SMILES notation for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-4-propan-2-ylphenol?
The canonical SMILES for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-4-propan-2-ylphenol is COc1ccccc1N1CCN(Cc2cc(C(C)C)c(C)cc2O)CC1.
What is the InChIKey of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-4-propan-2-ylphenol?
The InChIKey is SERIGAIAXJBLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-16(2)19-14-18(21(25)13-17(19)3)15-23-9-11-24(12-10-23)20-7-5-6-8-22(20)26-4/h5-8,13-14,16,25H,9-12,15H2,1-4H3.
What are the key properties of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-4-propan-2-ylphenol?
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-4-propan-2-ylphenol has a molecular weight of 354.49 g/mol, XLogP of 4.15, 5 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]-5-methyl-4-propan-2-ylphenol is sourced from PubChem (CID 3578954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).