1-(5-bromofuran-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine

C13H22BrN3O — CID 16783175

IUPAC1-(5-bromofuran-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
SMILESCN1CCC(N(C)C(CN)c2ccc(Br)o2)CC1
InChIInChI=1S/C13H22BrN3O/c1-16-7-5-10(6-8-16)17(2)11(9-15)12-3-4-13(14)18-12/h3-4,10-11H,5-9,15H2,1-2H3
InChIKeyBQVFWCOJAMWPDD-UHFFFAOYSA-N
MW316.24 g/mol
LogP2.07
Rot. Bonds4

About 1-(5-bromofuran-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine

1-(5-bromofuran-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine (PubChem CID 16783175) has the molecular formula C13H22BrN3O and a molecular weight of 316.24 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
PubChem CID16783175
Molecular FormulaC13H22BrN3O
Molecular Weight316.24 g/mol
Exact Mass315.09
IUPAC Name1-(5-bromofuran-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
SMILESCN1CCC(N(C)C(CN)c2ccc(Br)o2)CC1
InChIInChI=1S/C13H22BrN3O/c1-16-7-5-10(6-8-16)17(2)11(9-15)12-3-4-13(14)18-12/h3-4,10-11H,5-9,15H2,1-2H3
InChIKeyBQVFWCOJAMWPDD-UHFFFAOYSA-N
XLogP2.07
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dibromofuran-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 62085568
1-(4,5-dibromothiophen-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 102838105
N-cyclopentyl-N-methyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine
CID 43266988
1-(4-cyclopropylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 79968413
N-methyl-N-(1-methylpiperidin-4-yl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 63050917
N-methyl-N-(1-methylpiperidin-4-yl)-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 43089504
4-[2-amino-1-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]benzene-1,2-diol
CID 16789742
1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 63667565
1-(5-bromofuran-2-yl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine
CID 55011064
1-(5-bromofuran-2-yl)-N-methyl-N-phenylethane-1,2-diamine
CID 16781258
1-(5-bromofuran-2-yl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011979
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 83089494

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine (CID 16783175) is 1-(5-bromofuran-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine is CN1CCC(N(C)C(CN)c2ccc(Br)o2)CC1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The InChIKey is BQVFWCOJAMWPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3O/c1-16-7-5-10(6-8-16)17(2)11(9-15)12-3-4-13(14)18-12/h3-4,10-11H,5-9,15H2,1-2H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
1-(5-bromofuran-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine has a molecular weight of 316.24 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 16783175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).