2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-2-yl]-N-methylethanamine

C11H22N4 — CID 114400539

IUPAC2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-2-yl]-N-methylethanamine
SMILESCNCCC1CCCCN1C1=NCCN1
InChIInChI=1S/C11H22N4/c1-12-6-5-10-4-2-3-9-15(10)11-13-7-8-14-11/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyQXAHKOOQAISQGC-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.41
Rot. Bonds3

About 2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-2-yl]-N-methylethanamine

2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-2-yl]-N-methylethanamine (PubChem CID 114400539) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-2-yl]-N-methylethanamine
PubChem CID114400539
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-2-yl]-N-methylethanamine
SMILESCNCCC1CCCCN1C1=NCCN1
InChIInChI=1S/C11H22N4/c1-12-6-5-10-4-2-3-9-15(10)11-13-7-8-14-11/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyQXAHKOOQAISQGC-UHFFFAOYSA-N
XLogP0.41
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]ethanamine
CID 114449920
1-[2-[2-(methylamino)ethyl]piperidin-1-yl]isoquinolin-7-ol
CID 106540704
3-fluoro-5-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile
CID 102819045
2-[1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine
CID 107303791
[1-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazin-2-yl]methanamine
CID 114400598
N-methyl-2-[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 66331777
2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]-N-methylethanamine
CID 106998163
3-bromo-4-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile
CID 82810078
N-methyl-2-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine
CID 81136054
6-[2-[2-(methylamino)ethyl]piperidin-1-yl]-5-nitropyridine-3-carbonitrile
CID 103472359
2-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine
CID 65484017
[2-[2-(methylamino)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 113439400

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-2-yl]-N-methylethanamine?
The IUPAC name of 2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-2-yl]-N-methylethanamine (CID 114400539) is 2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-2-yl]-N-methylethanamine is CNCCC1CCCCN1C1=NCCN1.
What is the InChIKey of 2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-2-yl]-N-methylethanamine?
The InChIKey is QXAHKOOQAISQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-12-6-5-10-4-2-3-9-15(10)11-13-7-8-14-11/h10,12H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-2-yl]-N-methylethanamine?
2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-2-yl]-N-methylethanamine has a molecular weight of 210.32 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-2-yl]-N-methylethanamine is sourced from PubChem (CID 114400539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).