2-imidazol-1-yl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine

C12H22N4 — CID 62659083

IUPAC2-imidazol-1-yl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
SMILESCN1CCC(CNCCn2ccnc2)CC1
InChIInChI=1S/C12H22N4/c1-15-6-2-12(3-7-15)10-13-4-8-16-9-5-14-11-16/h5,9,11-13H,2-4,6-8,10H2,1H3
InChIKeyWCAWAPKJFYBNHS-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.81
Rot. Bonds5

About 2-imidazol-1-yl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine

2-imidazol-1-yl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine (PubChem CID 62659083) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
PubChem CID62659083
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-imidazol-1-yl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
SMILESCN1CCC(CNCCn2ccnc2)CC1
InChIInChI=1S/C12H22N4/c1-15-6-2-12(3-7-15)10-13-4-8-16-9-5-14-11-16/h5,9,11-13H,2-4,6-8,10H2,1H3
InChIKeyWCAWAPKJFYBNHS-UHFFFAOYSA-N
XLogP0.81
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-imidazol-1-yl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[(2-imidazol-1-ylethylamino)methyl]piperidine-1-carboxylate
CID 103730192
2-imidazol-1-yl-N-(piperidin-3-ylmethyl)ethanamine
CID 80555335
N-[[1-(2-imidazol-1-ylethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 63849479
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 63248882
1-(cyclobutylmethyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine
CID 119151281
(3aR,7aS)-N-(2-imidazol-1-ylethyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide
CID 136588099
N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-imidazol-1-ylethanamine
CID 86799390
N-(2-imidazol-1-ylethyl)-2-(1-methylpiperidin-2-yl)ethanamine
CID 55024503
N-[(3-chlorocyclohexyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 106122739
N-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine
CID 115704910
N-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide
CID 132649483

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The IUPAC name of 2-imidazol-1-yl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine (CID 62659083) is 2-imidazol-1-yl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-imidazol-1-yl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for 2-imidazol-1-yl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine is CN1CCC(CNCCn2ccnc2)CC1.
What is the InChIKey of 2-imidazol-1-yl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The InChIKey is WCAWAPKJFYBNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-15-6-2-12(3-7-15)10-13-4-8-16-9-5-14-11-16/h5,9,11-13H,2-4,6-8,10H2,1H3.
What are the key properties of 2-imidazol-1-yl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
2-imidazol-1-yl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine has a molecular weight of 222.34 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 62659083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).