2-(5-bromo-1-methylimidazol-4-yl)-N-methyl-2-piperidin-1-ylethanamine

C12H21BrN4 — CID 84744118

IUPAC2-(5-bromo-1-methylimidazol-4-yl)-N-methyl-2-piperidin-1-ylethanamine
SMILESCNCC(c1ncn(C)c1Br)N1CCCCC1
InChIInChI=1S/C12H21BrN4/c1-14-8-10(17-6-4-3-5-7-17)11-12(13)16(2)9-15-11/h9-10,14H,3-8H2,1-2H3
InChIKeyGPCNPIOSGNDMQT-UHFFFAOYSA-N
MW301.23 g/mol
LogP1.93
Rot. Bonds4

About 2-(5-bromo-1-methylimidazol-4-yl)-N-methyl-2-piperidin-1-ylethanamine

2-(5-bromo-1-methylimidazol-4-yl)-N-methyl-2-piperidin-1-ylethanamine (PubChem CID 84744118) has the molecular formula C12H21BrN4 and a molecular weight of 301.23 g/mol. Its IUPAC name is 2-(5-bromo-1-methylimidazol-4-yl)-N-methyl-2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name2-(5-bromo-1-methylimidazol-4-yl)-N-methyl-2-piperidin-1-ylethanamine
PubChem CID84744118
Molecular FormulaC12H21BrN4
Molecular Weight301.23 g/mol
Exact Mass300.09
IUPAC Name2-(5-bromo-1-methylimidazol-4-yl)-N-methyl-2-piperidin-1-ylethanamine
SMILESCNCC(c1ncn(C)c1Br)N1CCCCC1
InChIInChI=1S/C12H21BrN4/c1-14-8-10(17-6-4-3-5-7-17)11-12(13)16(2)9-15-11/h9-10,14H,3-8H2,1-2H3
InChIKeyGPCNPIOSGNDMQT-UHFFFAOYSA-N
XLogP1.93
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-1-methylimidazol-4-yl)-2-morpholin-4-ylethanamine
CID 84743731
2-(azepan-1-yl)-N-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 148828450
2-(5-chloro-3-methylimidazol-4-yl)-2-(4-cyclopentylpiperazin-1-yl)-N-methylethanamine
CID 84744809
2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 22692501
2-(5-bromo-1-methyl-2-phenylimidazol-4-yl)-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 84745756
2-(5-bromo-1,2-dimethylimidazol-4-yl)-N-methyl-2-(4-phenylpiperazin-1-yl)ethanamine
CID 84745718
2-(4-bromo-2-methyl-1H-imidazol-5-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 84744537
N-methyl-2-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)ethanamine
CID 22692545
2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 84744185
N,4-dimethyl-2-pyrrolidin-1-ylpentan-1-amine
CID 19439849
2-(1-methylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine
CID 84739674
2-(4-methyl-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylethanamine
CID 82400069

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-methylimidazol-4-yl)-N-methyl-2-piperidin-1-ylethanamine?
The IUPAC name of 2-(5-bromo-1-methylimidazol-4-yl)-N-methyl-2-piperidin-1-ylethanamine (CID 84744118) is 2-(5-bromo-1-methylimidazol-4-yl)-N-methyl-2-piperidin-1-ylethanamine.
What is the SMILES notation for 2-(5-bromo-1-methylimidazol-4-yl)-N-methyl-2-piperidin-1-ylethanamine?
The canonical SMILES for 2-(5-bromo-1-methylimidazol-4-yl)-N-methyl-2-piperidin-1-ylethanamine is CNCC(c1ncn(C)c1Br)N1CCCCC1.
What is the InChIKey of 2-(5-bromo-1-methylimidazol-4-yl)-N-methyl-2-piperidin-1-ylethanamine?
The InChIKey is GPCNPIOSGNDMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4/c1-14-8-10(17-6-4-3-5-7-17)11-12(13)16(2)9-15-11/h9-10,14H,3-8H2,1-2H3.
What are the key properties of 2-(5-bromo-1-methylimidazol-4-yl)-N-methyl-2-piperidin-1-ylethanamine?
2-(5-bromo-1-methylimidazol-4-yl)-N-methyl-2-piperidin-1-ylethanamine has a molecular weight of 301.23 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-methylimidazol-4-yl)-N-methyl-2-piperidin-1-ylethanamine is sourced from PubChem (CID 84744118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).