1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine

C17H27BrN2O — CID 64843482

IUPAC1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
SMILESCCC1CN(Cc2cc(Br)ccc2OC)C(C(C)C)CN1
InChIInChI=1S/C17H27BrN2O/c1-5-15-11-20(16(9-19-15)12(2)3)10-13-8-14(18)6-7-17(13)21-4/h6-8,12,15-16,19H,5,9-11H2,1-4H3
InChIKeyIVADLGOPIIXTOT-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.67
Rot. Bonds5

About 1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine

1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine (PubChem CID 64843482) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
PubChem CID64843482
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
SMILESCCC1CN(Cc2cc(Br)ccc2OC)C(C(C)C)CN1
InChIInChI=1S/C17H27BrN2O/c1-5-15-11-20(16(9-19-15)12(2)3)10-13-8-14(18)6-7-17(13)21-4/h6-8,12,15-16,19H,5,9-11H2,1-4H3
InChIKeyIVADLGOPIIXTOT-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

1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64946893
1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
CID 64833515
1-[(5-chloro-2-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 103050775
1-[2-(4-bromophenoxy)ethyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64840961
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64842124
1-[(2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64846874
1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylpiperazine
CID 64833007
1-[(2-bromophenyl)methyl]-2-butan-2-yl-5-ethylpiperazine
CID 64841935
1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-methylpiperazine
CID 64946315
1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 114934592
1-(4-bromo-2-chlorophenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64935887
1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine
CID 64859726

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine (CID 64843482) is 1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine is CCC1CN(Cc2cc(Br)ccc2OC)C(C(C)C)CN1.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine?
The InChIKey is IVADLGOPIIXTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-5-15-11-20(16(9-19-15)12(2)3)10-13-8-14(18)6-7-17(13)21-4/h6-8,12,15-16,19H,5,9-11H2,1-4H3.
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine?
1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine 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-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64843482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).