1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine

C12H22N4 — CID 115313237

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine
SMILESCCn1ccnc1CN1CCC(N)CC1C
InChIInChI=1S/C12H22N4/c1-3-15-7-5-14-12(15)9-16-6-4-11(13)8-10(16)2/h5,7,10-11H,3-4,6,8-9,13H2,1-2H3
InChIKeyQFVQCGLDOGBERE-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.21
Rot. Bonds3

About 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine

1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine (PubChem CID 115313237) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine
PubChem CID115313237
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine
SMILESCCn1ccnc1CN1CCC(N)CC1C
InChIInChI=1S/C12H22N4/c1-3-15-7-5-14-12(15)9-16-6-4-11(13)8-10(16)2/h5,7,10-11H,3-4,6,8-9,13H2,1-2H3
InChIKeyQFVQCGLDOGBERE-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744805
1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62736236
(2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine
CID 82761036
(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine
CID 100838868
(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
CID 94576709
(4aS,8aR)-1-[(1-ethylimidazol-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 100901496
1-[4-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 154798166
2-methyl-1-(pyrimidin-4-ylmethyl)piperidin-4-amine
CID 115312023
3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
CID 81460655
1-[(4-butoxyphenyl)methyl]-2-methylpiperidin-4-amine
CID 75509563
(2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine
CID 98768790
(2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazine
CID 124840308

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine (CID 115313237) is 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine is CCn1ccnc1CN1CCC(N)CC1C.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine?
The InChIKey is QFVQCGLDOGBERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-15-7-5-14-12(15)9-16-6-4-11(13)8-10(16)2/h5,7,10-11H,3-4,6,8-9,13H2,1-2H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine?
1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine has a molecular weight of 222.34 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine is sourced from PubChem (CID 115313237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).