1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine

C12H16BrFN2 — CID 765192

IUPAC1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C12H16BrFN2/c1-15-4-6-16(7-5-15)9-10-2-3-12(14)11(13)8-10/h2-3,8H,4-7,9H2,1H3
InChIKeyOLAWACKCJVOQIE-UHFFFAOYSA-N
MW287.18 g/mol
LogP2.34
Rot. Bonds2

About 1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine

1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine (PubChem CID 765192) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine
PubChem CID765192
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC Name1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C12H16BrFN2/c1-15-4-6-16(7-5-15)9-10-2-3-12(14)11(13)8-10/h2-3,8H,4-7,9H2,1H3
InChIKeyOLAWACKCJVOQIE-UHFFFAOYSA-N
XLogP2.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-[(4-methylpiperazin-1-yl)methyl]aniline
CID 84789213
1-[(3-bromo-4-fluorophenyl)methyl]-4-cyclopropylpiperazine
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1-[(3-bromo-4-fluorophenyl)methyl]-4-butan-2-ylpiperazine
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4-[(3-bromo-4-fluorophenyl)methyl]piperazine-1-carboxylic acid
CID 142781841
2-[4-[(3-bromo-4-fluorophenyl)methyl]piperazin-1-yl]ethanethioamide
CID 63336214
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine
CID 63458840
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylazepane
CID 63623198
1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986177
2-[4-[(3-bromo-4-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 62824857
1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103657157
2-[4-[(3-bromo-4-fluorophenyl)methyl]piperazin-1-yl]butanenitrile
CID 63339610
1-[(4-bromophenyl)methyl]-4-methylpiperazine
CID 22197612

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine (CID 765192) is 1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine is CN1CCN(Cc2ccc(F)c(Br)c2)CC1.
What is the InChIKey of 1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine?
The InChIKey is OLAWACKCJVOQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2/c1-15-4-6-16(7-5-15)9-10-2-3-12(14)11(13)8-10/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine?
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine has a molecular weight of 287.18 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 765192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).