[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine

C11H20N4 — CID 66117539

IUPAC[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine
SMILESCn1cncc1CN1CCCCC1CN
InChIInChI=1S/C11H20N4/c1-14-9-13-7-11(14)8-15-5-3-2-4-10(15)6-12/h7,9-10H,2-6,8,12H2,1H3
InChIKeyJWOYDTMDPRXZIV-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.73
Rot. Bonds3

About [1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine

[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine (PubChem CID 66117539) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is [1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine
PubChem CID66117539
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine
SMILESCn1cncc1CN1CCCCC1CN
InChIInChI=1S/C11H20N4/c1-14-9-13-7-11(14)8-15-5-3-2-4-10(15)6-12/h7,9-10H,2-6,8,12H2,1H3
InChIKeyJWOYDTMDPRXZIV-UHFFFAOYSA-N
XLogP0.73
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911593
(3aR,8aR)-4-methyl-1-[(3-methylimidazol-4-yl)methyl]-2,3,3a,5,6,7,8,8a-octahydropyrrolo[3,2-b]azepine
CID 155982518
1-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 66118178
cyclohexane-1,4-diamine;2-ethyl-1-methylpyrrolidine;(1-ethylpyrrolidin-2-yl)methanamine;(3-methylimidazol-4-yl)methanamine;1-methylpiperidin-3-amine;(1-methylpiperidin-2-yl)methanamine
CID 160546801
[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 83089134
4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine
CID 110271171
N-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 66163826
2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole
CID 77079706
2-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79546696
N-methyl-2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]ethanamine
CID 66162231
[1-[(4-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120836903
[1-[(5-fluoro-3-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 104973692

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine (CID 66117539) is [1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine is Cn1cncc1CN1CCCCC1CN.
What is the InChIKey of [1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine?
The InChIKey is JWOYDTMDPRXZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-14-9-13-7-11(14)8-15-5-3-2-4-10(15)6-12/h7,9-10H,2-6,8,12H2,1H3.
What are the key properties of [1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine?
[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine has a molecular weight of 208.31 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 66117539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).