1-[(3-bromo-4-methoxyphenyl)methyl]-2,5-diethyl-2-methylpiperazine

C17H27BrN2O — CID 64843336

IUPAC1-[(3-bromo-4-methoxyphenyl)methyl]-2,5-diethyl-2-methylpiperazine
SMILESCCC1CN(Cc2ccc(OC)c(Br)c2)C(C)(CC)CN1
InChIInChI=1S/C17H27BrN2O/c1-5-14-11-20(17(3,6-2)12-19-14)10-13-7-8-16(21-4)15(18)9-13/h7-9,14,19H,5-6,10-12H2,1-4H3
InChIKeyUOVNNAUGBRFMIQ-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.81
Rot. Bonds5

About 1-[(3-bromo-4-methoxyphenyl)methyl]-2,5-diethyl-2-methylpiperazine

1-[(3-bromo-4-methoxyphenyl)methyl]-2,5-diethyl-2-methylpiperazine (PubChem CID 64843336) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[(3-bromo-4-methoxyphenyl)methyl]-2,5-diethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-[(3-bromo-4-methoxyphenyl)methyl]-2,5-diethyl-2-methylpiperazine
PubChem CID64843336
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name1-[(3-bromo-4-methoxyphenyl)methyl]-2,5-diethyl-2-methylpiperazine
SMILESCCC1CN(Cc2ccc(OC)c(Br)c2)C(C)(CC)CN1
InChIInChI=1S/C17H27BrN2O/c1-5-14-11-20(17(3,6-2)12-19-14)10-13-7-8-16(21-4)15(18)9-13/h7-9,14,19H,5-6,10-12H2,1-4H3
InChIKeyUOVNNAUGBRFMIQ-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-2,5-diethyl-2-methylpiperazine
CID 82925269
1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylpiperazine
CID 64832996
1-benzyl-2,5-diethyl-2-methylpiperazine
CID 64841591
2-ethyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64838813
1-[(3-bromo-4-fluorophenyl)methyl]-2,2,5-triethylpiperazine
CID 64841983
1-[(3-bromo-4-methoxyphenyl)methyl]-2,5-diethyl-5-methylpiperazine
CID 64848478
1-[(3-bromo-4-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine
CID 79037784
2,5-diethyl-1-[(6-methoxy-2-pyridinyl)methyl]-2-methylpiperazine
CID 64843335
2-ethyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine
CID 64840168
2,2,5-triethyl-1-[(4-methoxyphenyl)methyl]piperazine
CID 64842179
2,5-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-2-methylpiperazine
CID 64842563
1-[(3,4-dimethylphenyl)methyl]-2,2,5-triethylpiperazine
CID 64843731

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-2,5-diethyl-2-methylpiperazine?
The IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-2,5-diethyl-2-methylpiperazine (CID 64843336) is 1-[(3-bromo-4-methoxyphenyl)methyl]-2,5-diethyl-2-methylpiperazine.
What is the SMILES notation for 1-[(3-bromo-4-methoxyphenyl)methyl]-2,5-diethyl-2-methylpiperazine?
The canonical SMILES for 1-[(3-bromo-4-methoxyphenyl)methyl]-2,5-diethyl-2-methylpiperazine is CCC1CN(Cc2ccc(OC)c(Br)c2)C(C)(CC)CN1.
What is the InChIKey of 1-[(3-bromo-4-methoxyphenyl)methyl]-2,5-diethyl-2-methylpiperazine?
The InChIKey is UOVNNAUGBRFMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-5-14-11-20(17(3,6-2)12-19-14)10-13-7-8-16(21-4)15(18)9-13/h7-9,14,19H,5-6,10-12H2,1-4H3.
What are the key properties of 1-[(3-bromo-4-methoxyphenyl)methyl]-2,5-diethyl-2-methylpiperazine?
1-[(3-bromo-4-methoxyphenyl)methyl]-2,5-diethyl-2-methylpiperazine has a molecular weight of 355.32 g/mol, XLogP of 3.81, 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]-2,5-diethyl-2-methylpiperazine is sourced from PubChem (CID 64843336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).