[2-(aminomethyl)-6-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone

C12H20N4O — CID 103511576

IUPAC[2-(aminomethyl)-6-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCC1CCCC(CN)N1C(=O)c1cncn1C
InChIInChI=1S/C12H20N4O/c1-9-4-3-5-10(6-13)16(9)12(17)11-7-14-8-15(11)2/h7-10H,3-6,13H2,1-2H3
InChIKeyGSSHTRFJDCRHSV-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.76
Rot. Bonds2

About [2-(aminomethyl)-6-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone

[2-(aminomethyl)-6-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone (PubChem CID 103511576) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [2-(aminomethyl)-6-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-6-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone
PubChem CID103511576
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[2-(aminomethyl)-6-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCC1CCCC(CN)N1C(=O)c1cncn1C
InChIInChI=1S/C12H20N4O/c1-9-4-3-5-10(6-13)16(9)12(17)11-7-14-8-15(11)2/h7-10H,3-6,13H2,1-2H3
InChIKeyGSSHTRFJDCRHSV-UHFFFAOYSA-N
XLogP0.76
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120794
[3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512267
[2-(chloromethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512063
[3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510238
[2-(aminomethyl)-6-methylpiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103120796
[2-(aminomethyl)-6-methylpiperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone
CID 80537943
6-[2-(aminomethyl)-6-methylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 114040275
(3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512264
[2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106862177
1-(3-methylimidazole-4-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 103510397
1-[2-(aminomethyl)-6-methylpiperidin-1-yl]but-2-yn-1-one
CID 107990412
2-cyclopentyl-1-(3-methylimidazol-4-yl)ethanone
CID 82895199

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-6-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The IUPAC name of [2-(aminomethyl)-6-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone (CID 103511576) is [2-(aminomethyl)-6-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-6-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-6-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone is CC1CCCC(CN)N1C(=O)c1cncn1C.
What is the InChIKey of [2-(aminomethyl)-6-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The InChIKey is GSSHTRFJDCRHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-4-3-5-10(6-13)16(9)12(17)11-7-14-8-15(11)2/h7-10H,3-6,13H2,1-2H3.
What are the key properties of [2-(aminomethyl)-6-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
[2-(aminomethyl)-6-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone has a molecular weight of 236.32 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-6-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 103511576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).