1-[(5-bromo-2-pyridinyl)methyl]-2,2,5-triethylpiperazine

C16H26BrN3 — CID 104812451

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-2,2,5-triethylpiperazine
SMILESCCC1CN(Cc2ccc(Br)cn2)C(CC)(CC)CN1
InChIInChI=1S/C16H26BrN3/c1-4-14-10-20(16(5-2,6-3)12-19-14)11-15-8-7-13(17)9-18-15/h7-9,14,19H,4-6,10-12H2,1-3H3
InChIKeyFBLBNXWTONXBPC-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.59
Rot. Bonds5

About 1-[(5-bromo-2-pyridinyl)methyl]-2,2,5-triethylpiperazine

1-[(5-bromo-2-pyridinyl)methyl]-2,2,5-triethylpiperazine (PubChem CID 104812451) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-2,2,5-triethylpiperazine.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-2,2,5-triethylpiperazine
PubChem CID104812451
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-2,2,5-triethylpiperazine
SMILESCCC1CN(Cc2ccc(Br)cn2)C(CC)(CC)CN1
InChIInChI=1S/C16H26BrN3/c1-4-14-10-20(16(5-2,6-3)12-19-14)11-15-8-7-13(17)9-18-15/h7-9,14,19H,4-6,10-12H2,1-3H3
InChIKeyFBLBNXWTONXBPC-UHFFFAOYSA-N
XLogP3.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-2-pyridinyl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 113456015
1-[(5-bromo-2-pyridinyl)methyl]-2,2-diethyl-5-propan-2-ylpiperazine
CID 104812404
1-[(5-bromo-2-pyridinyl)methyl]-2,2-diethylpiperazine
CID 104812324
1-[(4-bromophenyl)methyl]-2,2-diethyl-5-propylpiperazine
CID 64840562
2,2-diethyl-5-propyl-1-(pyridin-2-ylmethyl)piperazine
CID 64839207
1-[(5-bromo-2-pyridinyl)methyl]-5-butan-2-yl-2-ethyl-2-methylpiperazine
CID 104812499
1-[(3-bromo-4-fluorophenyl)methyl]-2,2,5-triethylpiperazine
CID 64841983
1-[(2-bromo-4-fluorophenyl)methyl]-2,2,5-triethylpiperazine
CID 64842373
2,2,5-triethyl-1-[(4-methoxyphenyl)methyl]piperazine
CID 64842179
1-[(3,4-dimethylphenyl)methyl]-2,2,5-triethylpiperazine
CID 64843731
1-[(5-chloro-2-fluorophenyl)methyl]-2,2,5-triethylpiperazine
CID 103050786
2,2,5-triethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine
CID 114349580

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-2,2,5-triethylpiperazine?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-2,2,5-triethylpiperazine (CID 104812451) is 1-[(5-bromo-2-pyridinyl)methyl]-2,2,5-triethylpiperazine.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-2,2,5-triethylpiperazine?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-2,2,5-triethylpiperazine is CCC1CN(Cc2ccc(Br)cn2)C(CC)(CC)CN1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-2,2,5-triethylpiperazine?
The InChIKey is FBLBNXWTONXBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-4-14-10-20(16(5-2,6-3)12-19-14)11-15-8-7-13(17)9-18-15/h7-9,14,19H,4-6,10-12H2,1-3H3.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-2,2,5-triethylpiperazine?
1-[(5-bromo-2-pyridinyl)methyl]-2,2,5-triethylpiperazine has a molecular weight of 340.31 g/mol, XLogP of 3.59, 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-pyridinyl)methyl]-2,2,5-triethylpiperazine is sourced from PubChem (CID 104812451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).