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

C17H27BrN2O — CID 65331268

IUPAC1-[(2-bromo-5-methoxyphenyl)methyl]-2-ethyl-5-propylpiperazine
SMILESCCCC1CN(Cc2cc(OC)ccc2Br)C(CC)CN1
InChIInChI=1S/C17H27BrN2O/c1-4-6-14-12-20(15(5-2)10-19-14)11-13-9-16(21-3)7-8-17(13)18/h7-9,14-15,19H,4-6,10-12H2,1-3H3
InChIKeyFTADROUJPCNVCY-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.81
Rot. Bonds6

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

1-[(2-bromo-5-methoxyphenyl)methyl]-2-ethyl-5-propylpiperazine (PubChem CID 65331268) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[(2-bromo-5-methoxyphenyl)methyl]-2-ethyl-5-propylpiperazine.

Molecular Properties

Compound Name1-[(2-bromo-5-methoxyphenyl)methyl]-2-ethyl-5-propylpiperazine
PubChem CID65331268
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name1-[(2-bromo-5-methoxyphenyl)methyl]-2-ethyl-5-propylpiperazine
SMILESCCCC1CN(Cc2cc(OC)ccc2Br)C(CC)CN1
InChIInChI=1S/C17H27BrN2O/c1-4-6-14-12-20(15(5-2)10-19-14)11-13-9-16(21-3)7-8-17(13)18/h7-9,14-15,19H,4-6,10-12H2,1-3H3
InChIKeyFTADROUJPCNVCY-UHFFFAOYSA-N
XLogP3.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyl-2-methylpiperazine
CID 65331441
2-[(2,5-diethylpiperazin-1-yl)methyl]-4-methoxyphenol
CID 64977910
2-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-propylpiperazine
CID 64845190
2-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-propylpiperazine
CID 82884970
1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine
CID 64845383
4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylmorpholine
CID 65326745
5-ethyl-1-[(4-methoxyphenyl)methyl]-2-propylpiperazine
CID 64842896
2-ethyl-1-[(6-methoxy-3-pyridinyl)methyl]-5-propylpiperazine
CID 64940210
5-[(2-bromo-5-methoxyphenyl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209340
[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 65326810
1-[(2-bromo-5-methoxyphenyl)methyl]-4-propylpyrrolidin-2-one
CID 104512444
2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64848535

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-2-ethyl-5-propylpiperazine?
The IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-2-ethyl-5-propylpiperazine (CID 65331268) is 1-[(2-bromo-5-methoxyphenyl)methyl]-2-ethyl-5-propylpiperazine.
What is the SMILES notation for 1-[(2-bromo-5-methoxyphenyl)methyl]-2-ethyl-5-propylpiperazine?
The canonical SMILES for 1-[(2-bromo-5-methoxyphenyl)methyl]-2-ethyl-5-propylpiperazine is CCCC1CN(Cc2cc(OC)ccc2Br)C(CC)CN1.
What is the InChIKey of 1-[(2-bromo-5-methoxyphenyl)methyl]-2-ethyl-5-propylpiperazine?
The InChIKey is FTADROUJPCNVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-4-6-14-12-20(15(5-2)10-19-14)11-13-9-16(21-3)7-8-17(13)18/h7-9,14-15,19H,4-6,10-12H2,1-3H3.
What are the key properties of 1-[(2-bromo-5-methoxyphenyl)methyl]-2-ethyl-5-propylpiperazine?
1-[(2-bromo-5-methoxyphenyl)methyl]-2-ethyl-5-propylpiperazine has a molecular weight of 355.32 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-methoxyphenyl)methyl]-2-ethyl-5-propylpiperazine is sourced from PubChem (CID 65331268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).