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

C17H26BrFN2 — CID 64849255

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propylpiperazine
SMILESCCCC1CNC(C)(CC)CN1Cc1cc(Br)ccc1F
InChIInChI=1S/C17H26BrFN2/c1-4-6-15-10-20-17(3,5-2)12-21(15)11-13-9-14(18)7-8-16(13)19/h7-9,15,20H,4-6,10-12H2,1-3H3
InChIKeyOMCHOAOTUIWMJA-UHFFFAOYSA-N
MW357.31 g/mol
LogP4.33
Rot. Bonds5

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

1-[(5-bromo-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propylpiperazine (PubChem CID 64849255) has the molecular formula C17H26BrFN2 and a molecular weight of 357.31 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propylpiperazine.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propylpiperazine
PubChem CID64849255
Molecular FormulaC17H26BrFN2
Molecular Weight357.31 g/mol
Exact Mass356.13
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propylpiperazine
SMILESCCCC1CNC(C)(CC)CN1Cc1cc(Br)ccc1F
InChIInChI=1S/C17H26BrFN2/c1-4-6-15-10-20-17(3,5-2)12-21(15)11-13-9-14(18)7-8-16(13)19/h7-9,15,20H,4-6,10-12H2,1-3H3
InChIKeyOMCHOAOTUIWMJA-UHFFFAOYSA-N
XLogP4.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(5-bromo-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propylpiperazine?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propylpiperazine (CID 64849255) is 1-[(5-bromo-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propylpiperazine.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propylpiperazine?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propylpiperazine is CCCC1CNC(C)(CC)CN1Cc1cc(Br)ccc1F.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propylpiperazine?
The InChIKey is OMCHOAOTUIWMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrFN2/c1-4-6-15-10-20-17(3,5-2)12-21(15)11-13-9-14(18)7-8-16(13)19/h7-9,15,20H,4-6,10-12H2,1-3H3.
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propylpiperazine?
1-[(5-bromo-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propylpiperazine has a molecular weight of 357.31 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propylpiperazine is sourced from PubChem (CID 64849255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).