1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-methylpiperazine

C14H21BrN2O — CID 64946315

IUPAC1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-methylpiperazine
SMILESCCC1CN(c2cc(Br)ccc2OC)C(C)CN1
InChIInChI=1S/C14H21BrN2O/c1-4-12-9-17(10(2)8-16-12)13-7-11(15)5-6-14(13)18-3/h5-7,10,12,16H,4,8-9H2,1-3H3
InChIKeyGRBXNNKUYXMZPL-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.03
Rot. Bonds3

About 1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-methylpiperazine

1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-methylpiperazine (PubChem CID 64946315) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-methylpiperazine
PubChem CID64946315
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-methylpiperazine
SMILESCCC1CN(c2cc(Br)ccc2OC)C(C)CN1
InChIInChI=1S/C14H21BrN2O/c1-4-12-9-17(10(2)8-16-12)13-7-11(15)5-6-14(13)18-3/h5-7,10,12,16H,4,8-9H2,1-3H3
InChIKeyGRBXNNKUYXMZPL-UHFFFAOYSA-N
XLogP3.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.03
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-chloro-2-methoxyphenyl)-2-methyl-5-propylpiperazine
CID 64933518
1-(5-chloro-2-methoxyphenyl)-2,5-diethylpiperazine
CID 64933713
1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64843482
1-(2,4-dibromophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64946822
1-(4-bromo-2-chlorophenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64935887
(3S)-4-(5-bromo-2-methoxyphenyl)-3-methylmorpholine
CID 175067337
2-ethyl-1-(2-methoxy-5-methylphenyl)-5-propylpiperazine
CID 64931773
1-(3-fluoro-4-methoxyphenyl)-2-methyl-5-propylpiperazine
CID 64934821
1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propan-2-ylpiperazine
CID 64937512
5-cyclopropyl-1-(2,5-dimethoxyphenyl)-2-methylpiperazine
CID 64932759
1-[1-(4-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine
CID 64945692

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-methylpiperazine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-methylpiperazine (CID 64946315) is 1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-methylpiperazine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-methylpiperazine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-methylpiperazine is CCC1CN(c2cc(Br)ccc2OC)C(C)CN1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-methylpiperazine?
The InChIKey is GRBXNNKUYXMZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-4-12-9-17(10(2)8-16-12)13-7-11(15)5-6-14(13)18-3/h5-7,10,12,16H,4,8-9H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-methylpiperazine?
1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-methylpiperazine has a molecular weight of 313.24 g/mol, XLogP of 3.03, 3 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)-5-ethyl-2-methylpiperazine is sourced from PubChem (CID 64946315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).