[1-[2-(1-methylpiperidin-2-yl)ethyl]imidazol-4-yl]methanamine

C12H22N4 — CID 107913121

IUPAC[1-[2-(1-methylpiperidin-2-yl)ethyl]imidazol-4-yl]methanamine
SMILESCN1CCCCC1CCn1cnc(CN)c1
InChIInChI=1S/C12H22N4/c1-15-6-3-2-4-12(15)5-7-16-9-11(8-13)14-10-16/h9-10,12H,2-8,13H2,1H3
InChIKeyHPZKFMDENYVREF-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.22
Rot. Bonds4

About [1-[2-(1-methylpiperidin-2-yl)ethyl]imidazol-4-yl]methanamine

[1-[2-(1-methylpiperidin-2-yl)ethyl]imidazol-4-yl]methanamine (PubChem CID 107913121) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is [1-[2-(1-methylpiperidin-2-yl)ethyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(1-methylpiperidin-2-yl)ethyl]imidazol-4-yl]methanamine
PubChem CID107913121
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name[1-[2-(1-methylpiperidin-2-yl)ethyl]imidazol-4-yl]methanamine
SMILESCN1CCCCC1CCn1cnc(CN)c1
InChIInChI=1S/C12H22N4/c1-15-6-3-2-4-12(15)5-7-16-9-11(8-13)14-10-16/h9-10,12H,2-8,13H2,1H3
InChIKeyHPZKFMDENYVREF-UHFFFAOYSA-N
XLogP1.22
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-1-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one
CID 115114329
4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrazol-3-amine
CID 107912156
2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine
CID 116642161
[1-[[(2R)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanamine
CID 129496715
[1-(2-methoxyethyl)imidazol-4-yl]methanamine
CID 82467874
(2R)-2-[2-(4-ethylpyrazol-1-yl)ethyl]-1-methylpiperidine
CID 143916063
1-[2-(1-methylpiperidin-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile
CID 103607029
2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen
CID 178143502
[6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]methanamine
CID 107913109
2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine
CID 107914179
[6-[(1-methylpiperidin-2-yl)methoxy]pyrazin-2-yl]methanamine
CID 66465685
[6-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]methanamine
CID 65471873

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-methylpiperidin-2-yl)ethyl]imidazol-4-yl]methanamine?
The IUPAC name of [1-[2-(1-methylpiperidin-2-yl)ethyl]imidazol-4-yl]methanamine (CID 107913121) is [1-[2-(1-methylpiperidin-2-yl)ethyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-(1-methylpiperidin-2-yl)ethyl]imidazol-4-yl]methanamine?
The canonical SMILES for [1-[2-(1-methylpiperidin-2-yl)ethyl]imidazol-4-yl]methanamine is CN1CCCCC1CCn1cnc(CN)c1.
What is the InChIKey of [1-[2-(1-methylpiperidin-2-yl)ethyl]imidazol-4-yl]methanamine?
The InChIKey is HPZKFMDENYVREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-15-6-3-2-4-12(15)5-7-16-9-11(8-13)14-10-16/h9-10,12H,2-8,13H2,1H3.
What are the key properties of [1-[2-(1-methylpiperidin-2-yl)ethyl]imidazol-4-yl]methanamine?
[1-[2-(1-methylpiperidin-2-yl)ethyl]imidazol-4-yl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-methylpiperidin-2-yl)ethyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 107913121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).