1-[(2-bromophenyl)methyl]-2-butan-2-yl-5-ethylpiperazine

C17H27BrN2 — CID 64841935

IUPAC1-[(2-bromophenyl)methyl]-2-butan-2-yl-5-ethylpiperazine
SMILESCCC1CN(Cc2ccccc2Br)C(C(C)CC)CN1
InChIInChI=1S/C17H27BrN2/c1-4-13(3)17-10-19-15(5-2)12-20(17)11-14-8-6-7-9-16(14)18/h6-9,13,15,17,19H,4-5,10-12H2,1-3H3
InChIKeyZYIPJBRXUOWXCP-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.05
Rot. Bonds5

About 1-[(2-bromophenyl)methyl]-2-butan-2-yl-5-ethylpiperazine

1-[(2-bromophenyl)methyl]-2-butan-2-yl-5-ethylpiperazine (PubChem CID 64841935) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-2-butan-2-yl-5-ethylpiperazine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-2-butan-2-yl-5-ethylpiperazine
PubChem CID64841935
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-[(2-bromophenyl)methyl]-2-butan-2-yl-5-ethylpiperazine
SMILESCCC1CN(Cc2ccccc2Br)C(C(C)CC)CN1
InChIInChI=1S/C17H27BrN2/c1-4-13(3)17-10-19-15(5-2)12-20(17)11-14-8-6-7-9-16(14)18/h6-9,13,15,17,19H,4-5,10-12H2,1-3H3
InChIKeyZYIPJBRXUOWXCP-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine
CID 64840935
2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]-5-ethylpiperazine
CID 64842129
2-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine
CID 64843293
2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine
CID 64842906
1,5-dibenzyl-2-butan-2-ylpiperazine
CID 64850133
2-butan-2-yl-1,5-diethylpiperazine
CID 64842903
2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine
CID 64841549
2-butan-2-yl-1-[(2-chlorophenyl)methyl]-5-propan-2-ylpiperazine
CID 64839619
1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64843482
1-benzyl-2-butan-2-yl-5-methylpiperazine
CID 64845112
1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 114934592
1-[(5-chloro-2-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 103050775

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-2-butan-2-yl-5-ethylpiperazine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-2-butan-2-yl-5-ethylpiperazine (CID 64841935) is 1-[(2-bromophenyl)methyl]-2-butan-2-yl-5-ethylpiperazine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-2-butan-2-yl-5-ethylpiperazine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-2-butan-2-yl-5-ethylpiperazine is CCC1CN(Cc2ccccc2Br)C(C(C)CC)CN1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-2-butan-2-yl-5-ethylpiperazine?
The InChIKey is ZYIPJBRXUOWXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-4-13(3)17-10-19-15(5-2)12-20(17)11-14-8-6-7-9-16(14)18/h6-9,13,15,17,19H,4-5,10-12H2,1-3H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-2-butan-2-yl-5-ethylpiperazine?
1-[(2-bromophenyl)methyl]-2-butan-2-yl-5-ethylpiperazine has a molecular weight of 339.32 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-2-butan-2-yl-5-ethylpiperazine is sourced from PubChem (CID 64841935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).