1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone

C9H18N2O2 — CID 112622267

IUPAC1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone
SMILESCOC1CCN(C(C)=O)C(CN)C1
InChIInChI=1S/C9H18N2O2/c1-7(12)11-4-3-9(13-2)5-8(11)6-10/h8-9H,3-6,10H2,1-2H3
InChIKeyZDAWOCRZHYEDBD-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.03
Rot. Bonds2

About 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone

1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone (PubChem CID 112622267) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone
PubChem CID112622267
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone
SMILESCOC1CCN(C(C)=O)C(CN)C1
InChIInChI=1S/C9H18N2O2/c1-7(12)11-4-3-9(13-2)5-8(11)6-10/h8-9H,3-6,10H2,1-2H3
InChIKeyZDAWOCRZHYEDBD-UHFFFAOYSA-N
XLogP-0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-3-methylbut-2-en-1-one
CID 112622168
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 112622266
2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide
CID 112622411
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 112622300
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]but-3-en-1-one
CID 112622247
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 112622398
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 112622258
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705229
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 115963404
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 115963360
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 112622381
[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-thiophen-3-ylmethanone
CID 99714903

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone?
The IUPAC name of 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone (CID 112622267) is 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone is COC1CCN(C(C)=O)C(CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone?
The InChIKey is ZDAWOCRZHYEDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(12)11-4-3-9(13-2)5-8(11)6-10/h8-9H,3-6,10H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone?
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone has a molecular weight of 186.25 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone is sourced from PubChem (CID 112622267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).