1-[3-(4,5-dibromo-1H-pyrrol-2-yl)propyl]-4-methylpiperazine

C12H19Br2N3 — CID 170864182

IUPAC1-[3-(4,5-dibromo-1H-pyrrol-2-yl)propyl]-4-methylpiperazine
SMILESCN1CCN(CCCc2cc(Br)c(Br)[nH]2)CC1
InChIInChI=1S/C12H19Br2N3/c1-16-5-7-17(8-6-16)4-2-3-10-9-11(13)12(14)15-10/h9,15H,2-8H2,1H3
InChIKeyIOMPWPRHFNOKQF-UHFFFAOYSA-N
MW365.11 g/mol
LogP2.72
Rot. Bonds4

About 1-[3-(4,5-dibromo-1H-pyrrol-2-yl)propyl]-4-methylpiperazine

1-[3-(4,5-dibromo-1H-pyrrol-2-yl)propyl]-4-methylpiperazine (PubChem CID 170864182) has the molecular formula C12H19Br2N3 and a molecular weight of 365.11 g/mol. Its IUPAC name is 1-[3-(4,5-dibromo-1H-pyrrol-2-yl)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(4,5-dibromo-1H-pyrrol-2-yl)propyl]-4-methylpiperazine
PubChem CID170864182
Molecular FormulaC12H19Br2N3
Molecular Weight365.11 g/mol
Exact Mass362.99
IUPAC Name1-[3-(4,5-dibromo-1H-pyrrol-2-yl)propyl]-4-methylpiperazine
SMILESCN1CCN(CCCc2cc(Br)c(Br)[nH]2)CC1
InChIInChI=1S/C12H19Br2N3/c1-16-5-7-17(8-6-16)4-2-3-10-9-11(13)12(14)15-10/h9,15H,2-8H2,1H3
InChIKeyIOMPWPRHFNOKQF-UHFFFAOYSA-N
XLogP2.72
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.11
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-tribromo-3-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862881
1-[3-(3,5-dimethyl-1H-pyrrol-2-yl)propyl]-4-methylpiperazine
CID 170864210
1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862894
2-bromo-4-chloro-6-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862555
4-bromo-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862276
2-bromo-6-[3-(4-methylpiperazin-1-yl)propyl]-4-nitrophenol
CID 170862554
1-[3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine
CID 170863606
1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine
CID 170863578
4-methyl-2,6-bis[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862381
1-methyl-4-[3-[2,3,5-trimethyl-6-[2-(2,4,6-trimethylphenyl)ethyl]phenyl]propyl]piperazine
CID 170862633
1-methyl-4-[3-(2,3,4,5-tetrafluorophenyl)propyl]piperazine
CID 170862462
4-[3-(4-methylpiperazin-1-yl)propyl]-2,6-di(propan-2-yl)phenol
CID 170862664

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,5-dibromo-1H-pyrrol-2-yl)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(4,5-dibromo-1H-pyrrol-2-yl)propyl]-4-methylpiperazine (CID 170864182) is 1-[3-(4,5-dibromo-1H-pyrrol-2-yl)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(4,5-dibromo-1H-pyrrol-2-yl)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(4,5-dibromo-1H-pyrrol-2-yl)propyl]-4-methylpiperazine is CN1CCN(CCCc2cc(Br)c(Br)[nH]2)CC1.
What is the InChIKey of 1-[3-(4,5-dibromo-1H-pyrrol-2-yl)propyl]-4-methylpiperazine?
The InChIKey is IOMPWPRHFNOKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Br2N3/c1-16-5-7-17(8-6-16)4-2-3-10-9-11(13)12(14)15-10/h9,15H,2-8H2,1H3.
What are the key properties of 1-[3-(4,5-dibromo-1H-pyrrol-2-yl)propyl]-4-methylpiperazine?
1-[3-(4,5-dibromo-1H-pyrrol-2-yl)propyl]-4-methylpiperazine has a molecular weight of 365.11 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,5-dibromo-1H-pyrrol-2-yl)propyl]-4-methylpiperazine is sourced from PubChem (CID 170864182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).