1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine

C12H22N4 — CID 62736422

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
SMILESCCn1ccnc1CN1CCCC(NC)C1
InChIInChI=1S/C12H22N4/c1-3-16-8-6-14-12(16)10-15-7-4-5-11(9-15)13-2/h6,8,11,13H,3-5,7,9-10H2,1-2H3
InChIKeyWSAIRRYMOYLREU-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.09
Rot. Bonds4

About 1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine

1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine (PubChem CID 62736422) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
PubChem CID62736422
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
SMILESCCn1ccnc1CN1CCCC(NC)C1
InChIInChI=1S/C12H22N4/c1-3-16-8-6-14-12(16)10-15-7-4-5-11(9-15)13-2/h6,8,11,13H,3-5,7,9-10H2,1-2H3
InChIKeyWSAIRRYMOYLREU-UHFFFAOYSA-N
XLogP1.09
TPSA33.09 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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
CID 94576709
(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol
CID 107226188
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol
CID 62735695
N-[[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 63848659
1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62736236
3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
CID 81460655
(3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
CID 95606569
(5S)-5-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione
CID 129490445
3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79762047
N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-3,5-dimethoxybenzamide
CID 42098387
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(4-fluorophenyl)pyridine
CID 95810617
(4aS,8aR)-1-[(1-ethylimidazol-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 100901496

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine (CID 62736422) is 1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine is CCn1ccnc1CN1CCCC(NC)C1.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine?
The InChIKey is WSAIRRYMOYLREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-16-8-6-14-12(16)10-15-7-4-5-11(9-15)13-2/h6,8,11,13H,3-5,7,9-10H2,1-2H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine?
1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine has a molecular weight of 222.34 g/mol, XLogP of 1.09, 4 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]-N-methylpiperidin-3-amine is sourced from PubChem (CID 62736422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).