[1-[1-(5-bromofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine

C12H20BrN3O — CID 113437671

IUPAC[1-[1-(5-bromofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
SMILESCC(c1ccc(Br)o1)N1CCN(C)CC1CN
InChIInChI=1S/C12H20BrN3O/c1-9(11-3-4-12(13)17-11)16-6-5-15(2)8-10(16)7-14/h3-4,9-10H,5-8,14H2,1-2H3
InChIKeyQHHORYNMVKJZII-UHFFFAOYSA-N
MW302.22 g/mol
LogP1.68
Rot. Bonds3

About [1-[1-(5-bromofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine

[1-[1-(5-bromofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine (PubChem CID 113437671) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is [1-[1-(5-bromofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(5-bromofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
PubChem CID113437671
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name[1-[1-(5-bromofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
SMILESCC(c1ccc(Br)o1)N1CCN(C)CC1CN
InChIInChI=1S/C12H20BrN3O/c1-9(11-3-4-12(13)17-11)16-6-5-15(2)8-10(16)7-14/h3-4,9-10H,5-8,14H2,1-2H3
InChIKeyQHHORYNMVKJZII-UHFFFAOYSA-N
XLogP1.68
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80505273
[1-[1-(4-bromo-2-chlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 82778837
[1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80505440
[1-[1-(2-methoxyphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504267
[1-[1-(2,4-dimethylphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504410
[1-[1-(2,5-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504678
[1-[1-(2,4-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504427
[4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine
CID 80504523
1-[1-(5-bromofuran-2-yl)ethyl]-2,5-dimethylpiperazine
CID 104653795
[1-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80505448
[4-methyl-1-(2-methyl-1-phenylpropyl)piperazin-2-yl]methanamine
CID 80504272
[1-(2,6-dimethylheptan-4-yl)-4-methylpiperazin-2-yl]methanamine
CID 114868447

Frequently Asked Questions

What is the IUPAC name of [1-[1-(5-bromofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine?
The IUPAC name of [1-[1-(5-bromofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine (CID 113437671) is [1-[1-(5-bromofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine.
What is the SMILES notation for [1-[1-(5-bromofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine?
The canonical SMILES for [1-[1-(5-bromofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine is CC(c1ccc(Br)o1)N1CCN(C)CC1CN.
What is the InChIKey of [1-[1-(5-bromofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine?
The InChIKey is QHHORYNMVKJZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-9(11-3-4-12(13)17-11)16-6-5-15(2)8-10(16)7-14/h3-4,9-10H,5-8,14H2,1-2H3.
What are the key properties of [1-[1-(5-bromofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine?
[1-[1-(5-bromofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine has a molecular weight of 302.22 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(5-bromofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine is sourced from PubChem (CID 113437671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).