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

C12H20N4O — CID 114960513

IUPAC[3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylimidazol-2-yl)methanone
SMILESCC1CCN(C(=O)c2nccn2C)CC1CN
InChIInChI=1S/C12H20N4O/c1-9-3-5-16(8-10(9)7-13)12(17)11-14-4-6-15(11)2/h4,6,9-10H,3,5,7-8,13H2,1-2H3
InChIKeyAWWWJLKFBNVVCQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.48
Rot. Bonds2

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

[3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 114960513) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID114960513
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylimidazol-2-yl)methanone
SMILESCC1CCN(C(=O)c2nccn2C)CC1CN
InChIInChI=1S/C12H20N4O/c1-9-3-5-16(8-10(9)7-13)12(17)11-14-4-6-15(11)2/h4,6,9-10H,3,5,7-8,13H2,1-2H3
InChIKeyAWWWJLKFBNVVCQ-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(aminomethyl)-4-methylpiperidine-1-carbonyl]-1H-pyrazin-2-one
CID 114960606
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705273
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811080
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 114960651
[3-(aminomethyl)-4-methylpiperidin-1-yl]-quinolin-8-ylmethanone
CID 114960494
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 114960673
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone
CID 114960375
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 114960250
3-(aminomethyl)-N-cyclohexyl-4-methylpiperidine-1-carboxamide
CID 114960745
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 114960591
azepan-1-yl-(1-methylimidazol-2-yl)methanone
CID 78994199
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 114960623

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylimidazol-2-yl)methanone (CID 114960513) is [3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylimidazol-2-yl)methanone is CC1CCN(C(=O)c2nccn2C)CC1CN.
What is the InChIKey of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is AWWWJLKFBNVVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-3-5-16(8-10(9)7-13)12(17)11-14-4-6-15(11)2/h4,6,9-10H,3,5,7-8,13H2,1-2H3.
What are the key properties of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 236.32 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 114960513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).