methyl 3-(aminomethyl)-3-hydroxy-2-methylpiperidine-1-carboxylate

C9H18N2O3 — CID 83848113

IUPACmethyl 3-(aminomethyl)-3-hydroxy-2-methylpiperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(O)(CN)C1C
InChIInChI=1S/C9H18N2O3/c1-7-9(13,6-10)4-3-5-11(7)8(12)14-2/h7,13H,3-6,10H2,1-2H3
InChIKeyRIGYMIZERABQAZ-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.07
Rot. Bonds1

About methyl 3-(aminomethyl)-3-hydroxy-2-methylpiperidine-1-carboxylate

methyl 3-(aminomethyl)-3-hydroxy-2-methylpiperidine-1-carboxylate (PubChem CID 83848113) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 3-(aminomethyl)-3-hydroxy-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(aminomethyl)-3-hydroxy-2-methylpiperidine-1-carboxylate
PubChem CID83848113
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl 3-(aminomethyl)-3-hydroxy-2-methylpiperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(O)(CN)C1C
InChIInChI=1S/C9H18N2O3/c1-7-9(13,6-10)4-3-5-11(7)8(12)14-2/h7,13H,3-6,10H2,1-2H3
InChIKeyRIGYMIZERABQAZ-UHFFFAOYSA-N
XLogP-0.07
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-(aminomethyl)-3-hydroxy-2-methylpiperidine-1-carboxylate 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

methyl 2-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
CID 83881158
methyl 2-(2-chloroacetyl)azepane-1-carboxylate
CID 104701440
methyl 2-[1-(aminomethyl)-2,3-dimethylcyclohexyl]acetate
CID 66098305
methyl 3-amino-2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 83848115
dimethyl (2S,5S)-2,5-dimethylpiperazine-1,4-dicarboxylate
CID 756933
cis-(1R,2S)-1-(aminomethyl)-2-methylcyclohexan-1-ol
CID 93046973
methyl 2-(4-methoxy-4-oxobutan-2-yl)pyrrolidine-1-carboxylate
CID 102021668
methyl 2-(2-hydrazinylethyl)piperidine-1-carboxylate
CID 84670171
methyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate
CID 113311614
methyl 3-(aminomethyl)-3-methoxypyrrolidine-1-carboxylate
CID 83907150
methyl (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate
CID 50941594
methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102738593

Frequently Asked Questions

What is the IUPAC name of methyl 3-(aminomethyl)-3-hydroxy-2-methylpiperidine-1-carboxylate?
The IUPAC name of methyl 3-(aminomethyl)-3-hydroxy-2-methylpiperidine-1-carboxylate (CID 83848113) is methyl 3-(aminomethyl)-3-hydroxy-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(aminomethyl)-3-hydroxy-2-methylpiperidine-1-carboxylate?
The canonical SMILES for methyl 3-(aminomethyl)-3-hydroxy-2-methylpiperidine-1-carboxylate is COC(=O)N1CCCC(O)(CN)C1C.
What is the InChIKey of methyl 3-(aminomethyl)-3-hydroxy-2-methylpiperidine-1-carboxylate?
The InChIKey is RIGYMIZERABQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-7-9(13,6-10)4-3-5-11(7)8(12)14-2/h7,13H,3-6,10H2,1-2H3.
What are the key properties of methyl 3-(aminomethyl)-3-hydroxy-2-methylpiperidine-1-carboxylate?
methyl 3-(aminomethyl)-3-hydroxy-2-methylpiperidine-1-carboxylate has a molecular weight of 202.25 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(aminomethyl)-3-hydroxy-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 83848113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).