[1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine

C12H22N4 — CID 106552311

IUPAC[1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine
SMILESCCc1cn(C)c(N2CCC(CN)CC2)n1
InChIInChI=1S/C12H22N4/c1-3-11-9-15(2)12(14-11)16-6-4-10(8-13)5-7-16/h9-10H,3-8,13H2,1-2H3
InChIKeyOLNCJGDWQQLNGH-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.16
Rot. Bonds3

About [1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine

[1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine (PubChem CID 106552311) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is [1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine
PubChem CID106552311
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name[1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine
SMILESCCc1cn(C)c(N2CCC(CN)CC2)n1
InChIInChI=1S/C12H22N4/c1-3-11-9-15(2)12(14-11)16-6-4-10(8-13)5-7-16/h9-10H,3-8,13H2,1-2H3
InChIKeyOLNCJGDWQQLNGH-UHFFFAOYSA-N
XLogP1.16
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methyl-1-propylimidazol-2-yl)piperidin-4-yl]methanamine
CID 106552287
[1-(1-methylimidazol-2-yl)piperidin-4-yl]methanamine
CID 62132388
1-(4-ethyl-1-methylimidazol-2-yl)-N-methylpiperidin-3-amine
CID 106552545
1-(4-ethyl-1-phenylimidazol-2-yl)piperidin-4-amine
CID 106551855
[1-[4-ethyl-1-(2-methoxyethyl)imidazol-2-yl]piperidin-3-yl]methanamine
CID 106552325
1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine
CID 106552458
3-[1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine
CID 106553112
[1-(3-methyltriazol-4-yl)piperidin-4-yl]methanamine
CID 130486423
[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800666
3-ethyl-1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-amine
CID 106553278
2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802425
(3R)-1-(1,4-dimethylimidazol-2-yl)pyrrolidin-3-amine
CID 130905710

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine (CID 106552311) is [1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine is CCc1cn(C)c(N2CCC(CN)CC2)n1.
What is the InChIKey of [1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine?
The InChIKey is OLNCJGDWQQLNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-11-9-15(2)12(14-11)16-6-4-10(8-13)5-7-16/h9-10H,3-8,13H2,1-2H3.
What are the key properties of [1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine?
[1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 106552311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).