[1-(2-imidazol-1-ylethyl)-4-methylpiperidin-3-yl]methanamine

C12H22N4 — CID 114961289

IUPAC[1-(2-imidazol-1-ylethyl)-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(CCn2ccnc2)CC1CN
InChIInChI=1S/C12H22N4/c1-11-2-4-15(9-12(11)8-13)6-7-16-5-3-14-10-16/h3,5,10-12H,2,4,6-9,13H2,1H3
InChIKeyMHYKSLVWJPKOPR-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.80
Rot. Bonds4

About [1-(2-imidazol-1-ylethyl)-4-methylpiperidin-3-yl]methanamine

[1-(2-imidazol-1-ylethyl)-4-methylpiperidin-3-yl]methanamine (PubChem CID 114961289) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is [1-(2-imidazol-1-ylethyl)-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-imidazol-1-ylethyl)-4-methylpiperidin-3-yl]methanamine
PubChem CID114961289
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name[1-(2-imidazol-1-ylethyl)-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(CCn2ccnc2)CC1CN
InChIInChI=1S/C12H22N4/c1-11-2-4-15(9-12(11)8-13)6-7-16-5-3-14-10-16/h3,5,10-12H,2,4,6-9,13H2,1H3
InChIKeyMHYKSLVWJPKOPR-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine
CID 61462956
(3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine
CID 94340676
3-chloro-1-(3-imidazol-1-ylpropyl)-4-methylpiperidine
CID 102960102
1-[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]ethanol
CID 112628258
[4-(2-imidazol-1-ylethyl)morpholin-2-yl]methanamine
CID 112703863
(3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol
CID 79031633
1-[1-(2-imidazol-1-ylethyl)piperidin-3-yl]ethanamine
CID 63848734
1-(2-imidazol-1-ylethyl)-3-methylpiperidin-4-one
CID 114500368
[4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methanamine
CID 103005361
[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine
CID 61493085
1-(2-pyrrolidin-1-ylethyl)imidazole
CID 19964498
1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine
CID 126892681

Frequently Asked Questions

What is the IUPAC name of [1-(2-imidazol-1-ylethyl)-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(2-imidazol-1-ylethyl)-4-methylpiperidin-3-yl]methanamine (CID 114961289) is [1-(2-imidazol-1-ylethyl)-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-imidazol-1-ylethyl)-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(2-imidazol-1-ylethyl)-4-methylpiperidin-3-yl]methanamine is CC1CCN(CCn2ccnc2)CC1CN.
What is the InChIKey of [1-(2-imidazol-1-ylethyl)-4-methylpiperidin-3-yl]methanamine?
The InChIKey is MHYKSLVWJPKOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-11-2-4-15(9-12(11)8-13)6-7-16-5-3-14-10-16/h3,5,10-12H,2,4,6-9,13H2,1H3.
What are the key properties of [1-(2-imidazol-1-ylethyl)-4-methylpiperidin-3-yl]methanamine?
[1-(2-imidazol-1-ylethyl)-4-methylpiperidin-3-yl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-imidazol-1-ylethyl)-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114961289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).