1-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine

C17H27BrN2O — CID 64841869

IUPAC1-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
SMILESCOc1ccc(CN2CC(CC(C)C)NCC2C)cc1Br
InChIInChI=1S/C17H27BrN2O/c1-12(2)7-15-11-20(13(3)9-19-15)10-14-5-6-17(21-4)16(18)8-14/h5-6,8,12-13,15,19H,7,9-11H2,1-4H3
InChIKeyODXGBWUCXNCUMD-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.67
Rot. Bonds5

About 1-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine

1-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine (PubChem CID 64841869) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
PubChem CID64841869
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name1-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
SMILESCOc1ccc(CN2CC(CC(C)C)NCC2C)cc1Br
InChIInChI=1S/C17H27BrN2O/c1-12(2)7-15-11-20(13(3)9-19-15)10-14-5-6-17(21-4)16(18)8-14/h5-6,8,12-13,15,19H,7,9-11H2,1-4H3
InChIKeyODXGBWUCXNCUMD-UHFFFAOYSA-N
XLogP3.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(2-methylpropyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 64939823
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 106261615
1-[(3-bromo-4-methoxyphenyl)methyl]-2-ethyl-5-propan-2-ylpiperazine
CID 64831547
1-[(3-methoxyphenyl)methyl]-7-methyl-3-(2-methylpropyl)-1,4-diazepane
CID 64871971
2-methyl-5-(2-methylpropyl)-1-[(2,4,6-trimethylphenyl)methyl]piperazine
CID 64841669
1-[(3-bromo-4-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine
CID 79037784
1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
CID 64833515
1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 64940136
1-[(2,6-dichlorophenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 64843790
2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64848535
1-(furan-2-ylmethyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64932402
2-ethyl-1-[(3-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64849307

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine (CID 64841869) is 1-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine is COc1ccc(CN2CC(CC(C)C)NCC2C)cc1Br.
What is the InChIKey of 1-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine?
The InChIKey is ODXGBWUCXNCUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-12(2)7-15-11-20(13(3)9-19-15)10-14-5-6-17(21-4)16(18)8-14/h5-6,8,12-13,15,19H,7,9-11H2,1-4H3.
What are the key properties of 1-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine?
1-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine has a molecular weight of 355.32 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64841869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).